N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide

C105H150F9I2N9O13S7+4 — CID 161250157

About N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide

N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide (PubChem CID 161250157) has the molecular formula C105H150F9I2N9O13S7+4 and a molecular weight of 2395.66 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide.

Molecular Properties

• Compound Name: N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide
• PubChem CID: 161250157
• Molecular Formula: C105H150F9I2N9O13S7+4
• Molecular Weight: 2395.66 g/mol
• Exact Mass: 2393.73
• IUPAC Name: N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide
• SMILES: CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N2CCCC2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(CCC1CCCCC1)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C19H30N2O3S.C18H30N2O3S.2C13H16NS.C12H16F9NO4S2.2C11H16I.C8H10N2O3S/c1-2-3-4-5-6-7-10-19(22)20-25(23,24)18-13-11-17(12-14-18)21-15-8-9-16-21;1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;2*1-4-11(2,3)9-5-7-10(12)8-6-9;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h11-14H,2-10,15-16H2,1H3,(H,20,22);11-14H,4-10,15H2,1-3H3,(H,19,21);2*2-3,6-7,10H,4-5,8-9H2,1H3;8,22H,1-7H2;2*5-8,12H,4H2,1-3H3;2-5H,9H2,1H3,(H,10,11)/q;;2*+1;;2*+1
• InChIKey: VBDVLVADQUIWEZ-UHFFFAOYSA-N
• XLogP: 16.43
• TPSA: 312.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 37
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.66
LogP ≤ 5	16.43
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide?

The IUPAC name of N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide (CID 161250157) is N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide.

What is the SMILES notation for N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide?

The canonical SMILES for N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide is CC(=O)NS(=O)(=O)c1ccc(N)cc1.CCC(C)(C)c1ccc([IH+])cc1.CCC(C)(C)c1ccc([IH+])cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(CN(C)C)cc1.CCCCCCCCC(=O)NS(=O)(=O)c1ccc(N2CCCC2)cc1.Cn1cc([S+]2CCCC2)c2ccccc21.Cn1cc([S+]2CCCC2)c2ccccc21.O=S(=O)(CCC1CCCCC1)NS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide?

The InChIKey is VBDVLVADQUIWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S.C18H30N2O3S.2C13H16NS.C12H16F9NO4S2.2C11H16I.C8H10N2O3S/c1-2-3-4-5-6-7-10-19(22)20-25(23,24)18-13-11-17(12-14-18)21-15-8-9-16-21;1-4-5-6-7-8-9-10-18(21)19-24(22,23)17-13-11-16(12-14-17)15-20(2)3;2*1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;13-9(14,11(17,18)19)10(15,16)12(20,21)28(25,26)22-27(23,24)7-6-8-4-2-1-3-5-8;2*1-4-11(2,3)9-5-7-10(12)8-6-9;1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h11-14H,2-10,15-16H2,1H3,(H,20,22);11-14H,4-10,15H2,1-3H3,(H,19,21);2*2-3,6-7,10H,4-5,8-9H2,1H3;8,22H,1-7H2;2*5-8,12H,4H2,1-3H3;2-5H,9H2,1H3,(H,10,11)/q;;2*+1;;2*+1;.

What are the key properties of N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide?

N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide has a molecular weight of 2395.66 g/mol, XLogP of 16.43, 37 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-aminophenyl)sulfonylacetamide;N-(2-cyclohexylethylsulfonyl)-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanamide;bis([4-(2-methylbutan-2-yl)phenyl]iodanium);bis(1-methyl-3-(thiolan-1-ium-1-yl)indole);N-(4-pyrrolidin-1-ylphenyl)sulfonylnonanamide is sourced from PubChem (CID 161250157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).