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

C22H23ClF2N2O3S — CID 142433490

IUPAC(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C22H23ClF2N2O3S/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/h6-7,9-10,12,14,20,27H,1-5,8,11H2,(H,26,28)/t20-/m0/s1
InChIKeyCXQNQTJESCVUTR-FQEVSTJZSA-N
MW468.95 g/mol
LogP5.11
Rot. Bonds5

About (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-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 (PubChem CID 142433490) has the molecular formula C22H23ClF2N2O3S and a molecular weight of 468.95 g/mol. Its IUPAC name is (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID142433490
Molecular FormulaC22H23ClF2N2O3S
Molecular Weight468.95 g/mol
Exact Mass468.11
IUPAC Name(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2NS(=O)(=O)C1CCCCC1
InChIInChI=1S/C22H23ClF2N2O3S/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/h6-7,9-10,12,14,20,27H,1-5,8,11H2,(H,26,28)/t20-/m0/s1
InChIKeyCXQNQTJESCVUTR-FQEVSTJZSA-N
XLogP5.11
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.95
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 153315393
(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
[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamic acid;hydrochloride
CID 170305189
N-(3-chloro-4-fluorophenyl)-3-(cyclopropylsulfonylamino)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
CID 135337993
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 153315333
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(2-methoxyacetyl)amino]-2,3-dihydro-1H-indene-4-carboxamide
CID 142433622
(1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 150295028
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 135337386
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 151604410
3-cyanopropyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433563
[(1S)-3-oxocyclopentyl]methyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 159868324
(1-methyl-1,2,4-triazol-3-yl)methyl N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 146425392

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide (CID 142433490) is (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CC[C@@H]2NS(=O)(=O)C1CCCCC1.
What is the InChIKey of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is CXQNQTJESCVUTR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23ClF2N2O3S/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/h6-7,9-10,12,14,20,27H,1-5,8,11H2,(H,26,28)/t20-/m0/s1.
What are the key properties of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-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 has a molecular weight of 468.95 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 142433490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).