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

C21H21ClF2N2O3S — CID 153315393

IUPACN-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CCC2NS(=O)(=O)C1CCCC1
InChIInChI=1S/C21H21ClF2N2O3S/c22-16-11-12(5-8-17(16)23)25-21(27)15-6-9-18(24)20-14(15)7-10-19(20)26-30(28,29)13-3-1-2-4-13/h5-6,8-9,11,13,19,26H,1-4,7,10H2,(H,25,27)
InChIKeyXJXCCJFYQPCWII-UHFFFAOYSA-N
MW454.93 g/mol
LogP4.72
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 153315393) has the molecular formula C21H21ClF2N2O3S and a molecular weight of 454.93 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID153315393
Molecular FormulaC21H21ClF2N2O3S
Molecular Weight454.93 g/mol
Exact Mass454.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CCC2NS(=O)(=O)C1CCCC1
InChIInChI=1S/C21H21ClF2N2O3S/c22-16-11-12(5-8-17(16)23)25-21(27)15-6-9-18(24)20-14(15)7-10-19(20)26-30(28,29)13-3-1-2-4-13/h5-6,8-9,11,13,19,26H,1-4,7,10H2,(H,25,27)
InChIKeyXJXCCJFYQPCWII-UHFFFAOYSA-N
XLogP4.72
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.93
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 142433490
(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 N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide (CID 153315393) is N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c2c1CCC2NS(=O)(=O)C1CCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is XJXCCJFYQPCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N2O3S/c22-16-11-12(5-8-17(16)23)25-21(27)15-6-9-18(24)20-14(15)7-10-19(20)26-30(28,29)13-3-1-2-4-13/h5-6,8-9,11,13,19,26H,1-4,7,10H2,(H,25,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 454.93 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(cyclopentylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 153315393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).