cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane

C98H104ClF15I5N7O21S5 — CID 158951733

About cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane

cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane (PubChem CID 158951733) has the molecular formula C98H104ClF15I5N7O21S5 and a molecular weight of 2831.22 g/mol. Its IUPAC name is cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane.

Molecular Properties

• Compound Name: cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane
• PubChem CID: 158951733
• Molecular Formula: C98H104ClF15I5N7O21S5
• Molecular Weight: 2831.22 g/mol
• Exact Mass: 2829.06
• IUPAC Name: cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane
• SMILES: COC[C@@H](O)CC1(S(=O)(=O)N(C)c2c(OC)cc(F)c(F)c2N(C)c2ccc(I)cc2F)CC1.COC[C@@H]1CO1.COc1cc(F)c(F)c(Cc2ccc(I)cc2F)c1N.COc1cc(F)c(F)c(Cc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1.COc1cc(F)c(F)c(Cc2ccc(I)cc2F)c1NS(=O)(=O)C1CC1.COc1cc(F)c(F)c(N(C)c2ccc(I)cc2F)c1N(C)S(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1
• InChI: InChI=1S/C22H26F3IN2O5S.C20H21F3INO5S.C18H18F3IN2O3S.C17H15F3INO3S.C14H11F3INO.C4H8O2.C3H5ClO2S/c1-27(17-6-5-13(26)9-15(17)23)21-19(25)16(24)10-18(33-4)20(21)28(2)34(30,31)22(7-8-22)11-14(29)12-32-3;1-30-17-8-16(22)18(23)14(6-11-2-3-12(24)7-15(11)21)19(17)25-31(28,29)20(4-5-20)9-13(27)10-26;1-23(14-7-4-10(22)8-12(14)19)18-16(21)13(20)9-15(27-3)17(18)24(2)28(25,26)11-5-6-11;1-25-15-8-14(19)16(20)12(6-9-2-3-10(21)7-13(9)18)17(15)22-26(23,24)11-4-5-11;1-20-12-6-11(16)13(17)9(14(12)19)4-7-2-3-8(18)5-10(7)15;1-5-2-4-3-6-4;4-7(5,6)3-1-2-3/h5-6,9-10,14,29H,7-8,11-12H2,1-4H3;2-3,7-8,13,25-27H,4-6,9-10H2,1H3;4,7-9,11H,5-6H2,1-3H3;2-3,7-8,11,22H,4-6H2,1H3;2-3,5-6H,4,19H2,1H3;4H,2-3H2,1H3;3H,1-2H2/t14-;13-;;;;4-;/m00...1./s1
• InChIKey: JLMZAFSSRDHRKN-LWJKSDFLSA-N
• XLogP: 20.77
• TPSA: 371.57 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 37
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2831.22
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane?

The IUPAC name of cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane (CID 158951733) is cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane.

What is the SMILES notation for cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane?

The canonical SMILES for cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane is COC[C@@H](O)CC1(S(=O)(=O)N(C)c2c(OC)cc(F)c(F)c2N(C)c2ccc(I)cc2F)CC1.COC[C@@H]1CO1.COc1cc(F)c(F)c(Cc2ccc(I)cc2F)c1N.COc1cc(F)c(F)c(Cc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)CC1.COc1cc(F)c(F)c(Cc2ccc(I)cc2F)c1NS(=O)(=O)C1CC1.COc1cc(F)c(F)c(N(C)c2ccc(I)cc2F)c1N(C)S(=O)(=O)C1CC1.O=S(=O)(Cl)C1CC1.

What is the InChIKey of cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane?

The InChIKey is JLMZAFSSRDHRKN-LWJKSDFLSA-N. The full InChI is InChI=1S/C22H26F3IN2O5S.C20H21F3INO5S.C18H18F3IN2O3S.C17H15F3INO3S.C14H11F3INO.C4H8O2.C3H5ClO2S/c1-27(17-6-5-13(26)9-15(17)23)21-19(25)16(24)10-18(33-4)20(21)28(2)34(30,31)22(7-8-22)11-14(29)12-32-3;1-30-17-8-16(22)18(23)14(6-11-2-3-12(24)7-15(11)21)19(17)25-31(28,29)20(4-5-20)9-13(27)10-26;1-23(14-7-4-10(22)8-12(14)19)18-16(21)13(20)9-15(27-3)17(18)24(2)28(25,26)11-5-6-11;1-25-15-8-14(19)16(20)12(6-9-2-3-10(21)7-13(9)18)17(15)22-26(23,24)11-4-5-11;1-20-12-6-11(16)13(17)9(14(12)19)4-7-2-3-8(18)5-10(7)15;1-5-2-4-3-6-4;4-7(5,6)3-1-2-3/h5-6,9-10,14,29H,7-8,11-12H2,1-4H3;2-3,7-8,13,25-27H,4-6,9-10H2,1H3;4,7-9,11H,5-6H2,1-3H3;2-3,7-8,11,22H,4-6H2,1H3;2-3,5-6H,4,19H2,1H3;4H,2-3H2,1H3;3H,1-2H2/t14-;13-;;;;4-;/m00...1./s1.

What are the key properties of cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane?

cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane has a molecular weight of 2831.22 g/mol, XLogP of 20.77, 37 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanesulfonyl chloride;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-1-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylcyclopropane-1-sulfonamide;N-[3,4-difluoro-2-(2-fluoro-4-iodo-N-methylanilino)-6-methoxyphenyl]-N-methylcyclopropanesulfonamide;3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyaniline;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]cyclopropanesulfonamide;N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamide;(2S)-2-(methoxymethyl)oxirane is sourced from PubChem (CID 158951733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).