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

C20H21ClF2N2O3S — CID 150295028

IUPAC(1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCC(C)CS(=O)(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(Cl)c(F)c3)ccc(F)c21
InChIInChI=1S/C20H21ClF2N2O3S/c1-11(2)10-29(27,28)25-18-8-5-13-14(4-7-16(22)19(13)18)20(26)24-12-3-6-15(21)17(23)9-12/h3-4,6-7,9,11,18,25H,5,8,10H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyGIKFSVWJGYDDKA-SFHVURJKSA-N
MW442.92 g/mol
LogP4.43
Rot. Bonds6

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

(1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 150295028) has the molecular formula C20H21ClF2N2O3S and a molecular weight of 442.92 g/mol. Its IUPAC name is (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID150295028
Molecular FormulaC20H21ClF2N2O3S
Molecular Weight442.92 g/mol
Exact Mass442.09
IUPAC Name(1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESCC(C)CS(=O)(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(Cl)c(F)c3)ccc(F)c21
InChIInChI=1S/C20H21ClF2N2O3S/c1-11(2)10-29(27,28)25-18-8-5-13-14(4-7-16(22)19(13)18)20(26)24-12-3-6-15(21)17(23)9-12/h3-4,6-7,9,11,18,25H,5,8,10H2,1-2H3,(H,24,26)/t18-/m0/s1
InChIKeyGIKFSVWJGYDDKA-SFHVURJKSA-N
XLogP4.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.92
LogP ≤ 54.43
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)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide
CID 142433490
[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamic acid;hydrochloride
CID 170305189
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[(2-methoxyacetyl)amino]-2,3-dihydro-1H-indene-4-carboxamide
CID 142433622
(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
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 153315333
3-cyanopropyl N-[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamate
CID 142433563
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 135337386
[(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
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 151604410
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[3-(1-methylpyrazol-3-yl)propanoylamino]-2,3-dihydro-1H-indene-4-carboxamide;3-(1-methylpyrazol-3-yl)propanoic acid;hydrochloride
CID 161211320

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide (CID 150295028) is (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide is CC(C)CS(=O)(=O)N[C@H]1CCc2c(C(=O)Nc3ccc(Cl)c(F)c3)ccc(F)c21.
What is the InChIKey of (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is GIKFSVWJGYDDKA-SFHVURJKSA-N. The full InChI is InChI=1S/C20H21ClF2N2O3S/c1-11(2)10-29(27,28)25-18-8-5-13-14(4-7-16(22)19(13)18)20(26)24-12-3-6-15(21)17(23)9-12/h3-4,6-7,9,11,18,25H,5,8,10H2,1-2H3,(H,24,26)/t18-/m0/s1.
What are the key properties of (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 442.92 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(4-chloro-3-fluorophenyl)-7-fluoro-1-(2-methylpropylsulfonylamino)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 150295028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).