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

C19H19ClFN3O3S — CID 151604410

IUPAC(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1CC[C@@H]2NS(=O)(=O)NC1CC1
InChIInChI=1S/C19H19ClFN3O3S/c20-16-10-12(6-8-17(16)21)22-19(25)15-3-1-2-14-13(15)7-9-18(14)24-28(26,27)23-11-4-5-11/h1-3,6,8,10-11,18,23-24H,4-5,7,9H2,(H,22,25)/t18-/m0/s1
InChIKeyQLDYEJGPWRPJBX-SFHVURJKSA-N
MW423.90 g/mol
LogP3.31
Rot. Bonds6

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

(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide (PubChem CID 151604410) has the molecular formula C19H19ClFN3O3S and a molecular weight of 423.90 g/mol. Its IUPAC name is (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
PubChem CID151604410
Molecular FormulaC19H19ClFN3O3S
Molecular Weight423.90 g/mol
Exact Mass423.08
IUPAC Name(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1CC[C@@H]2NS(=O)(=O)NC1CC1
InChIInChI=1S/C19H19ClFN3O3S/c20-16-10-12(6-8-17(16)21)22-19(25)15-3-1-2-14-13(15)7-9-18(14)24-28(26,27)23-11-4-5-11/h1-3,6,8,10-11,18,23-24H,4-5,7,9H2,(H,22,25)/t18-/m0/s1
InChIKeyQLDYEJGPWRPJBX-SFHVURJKSA-N
XLogP3.31
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide with MolForge

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Related Compounds

tert-butyl-[[(1S)-4-[(3-chloro-4-fluorophenyl)carbamoyl]-2,3-dihydro-1H-inden-1-yl]amino]-oxidosulfanium
CID 174143013
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
(1S)-1-[[(S)-tert-butylsulfinyl]amino]-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1H-indene-4-carboxamide;(1S)-1-[[(S)-tert-butylsulfinyl]amino]-2,3-dihydro-1H-indene-4-carboxylic acid;3-chloro-4-fluoroaniline;methane
CID 160612753
(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-indene-4-carboxamide
CID 153315333
[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamic acid;hydrochloride
CID 170305189
(1S)-1-[[(S)-tert-butylsulfinyl]amino]-N-(3,4-difluorophenyl)-2,3-dihydro-1H-indene-4-carboxamide
CID 142433432
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromene-8-carboxamide;hydrochloride
CID 134348459
N-(3-chloro-4-fluorophenyl)-2-cyclopropyl-1,1-dioxo-3H-1,2-benzothiazole-4-carboxamide
CID 142433558
N-[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]pyridine-3-carboxamide
CID 135337386
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-sulfamoylbenzamide
CID 121267983
N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzamide
CID 80719146

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The IUPAC name of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide (CID 151604410) is (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide.
What is the SMILES notation for (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The canonical SMILES for (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1CC[C@@H]2NS(=O)(=O)NC1CC1.
What is the InChIKey of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
The InChIKey is QLDYEJGPWRPJBX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H19ClFN3O3S/c20-16-10-12(6-8-17(16)21)22-19(25)15-3-1-2-14-13(15)7-9-18(14)24-28(26,27)23-11-4-5-11/h1-3,6,8,10-11,18,23-24H,4-5,7,9H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide?
(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide has a molecular weight of 423.90 g/mol, XLogP of 3.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclopropylsulfamoylamino)-2,3-dihydro-1H-indene-4-carboxamide is sourced from PubChem (CID 151604410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).