(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride

C44H47Cl3F4N4O6S2 — CID 158330252

About (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride

(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride (PubChem CID 158330252) has the molecular formula C44H47Cl3F4N4O6S2 and a molecular weight of 974.37 g/mol. Its IUPAC name is (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride.

Molecular Properties

• Compound Name: (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride
• PubChem CID: 158330252
• Molecular Formula: C44H47Cl3F4N4O6S2
• Molecular Weight: 974.37 g/mol
• Exact Mass: 972.19
• IUPAC Name: (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride
• SMILES: N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2NS(=O)(=O)C1CCCCC1.O=S(=O)(Cl)C1CCCCC1
• InChI: InChI=1S/C22H23ClF2N2O3S.C16H13ClF2N2O.C6H11ClO2S/c23-17-12-13(6-9-18(17)24)26-22(28)16-7-10-19(25)21-15(16)8-11-20(21)27-31(29,30)14-4-2-1-3-5-14;17-11-7-8(1-4-12(11)18)21-16(22)10-2-5-13(19)15-9(10)3-6-14(15)20;7-10(8,9)6-4-2-1-3-5-6/h6-7,9-10,12,14,20,27H,1-5,8,11H2,(H,26,28);1-2,4-5,7,14H,3,6,20H2,(H,21,22);6H,1-5H2/t20-;14-;/m00./s1
• InChIKey: GPXJCBXOVCXWSL-KKPMGPPOSA-N
• XLogP: 10.81
• TPSA: 164.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.37
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride?

The IUPAC name of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride (CID 158330252) is (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride.

What is the SMILES notation for (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride?

The canonical SMILES for (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride is N[C@H]1CCc2c(C(=O)Nc3ccc(F)c(Cl)c3)ccc(F)c21.O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2NS(=O)(=O)C1CCCCC1.O=S(=O)(Cl)C1CCCCC1.

What is the InChIKey of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride?

The InChIKey is GPXJCBXOVCXWSL-KKPMGPPOSA-N. The full InChI is InChI=1S/C22H23ClF2N2O3S.C16H13ClF2N2O.C6H11ClO2S/c23-17-12-13(6-9-18(17)24)26-22(28)16-7-10-19(25)21-15(16)8-11-20(21)27-31(29,30)14-4-2-1-3-5-14;17-11-7-8(1-4-12(11)18)21-16(22)10-2-5-13(19)15-9(10)3-6-14(15)20;7-10(8,9)6-4-2-1-3-5-6/h6-7,9-10,12,14,20,27H,1-5,8,11H2,(H,26,28);1-2,4-5,7,14H,3,6,20H2,(H,21,22);6H,1-5H2/t20-;14-;/m00./s1.

What are the key properties of (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride?

(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride has a molecular weight of 974.37 g/mol, XLogP of 10.81, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride is sourced from PubChem (CID 158330252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).