1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide

C19H21ClN2O4S — CID 23608871

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCOCC(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-13(12-26-2)21-19(23)15-3-8-18-14(11-15)9-10-22(18)27(24,25)17-6-4-16(20)5-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyYWQDVZDPRGISOS-UHFFFAOYSA-N
MW408.91 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide (PubChem CID 23608871) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide
PubChem CID23608871
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide
SMILESCOCC(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-13(12-26-2)21-19(23)15-3-8-18-14(11-15)9-10-22(18)27(24,25)17-6-4-16(20)5-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyYWQDVZDPRGISOS-UHFFFAOYSA-N
XLogP2.86
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-methoxypropan-2-yl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 40640781
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 23608848
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 100770223
1-(4-chlorophenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765259
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
(2R)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-[(2S)-pentan-2-yl]-2,3-dihydroindole-5-carboxamide
CID 93156124
1-(4-chlorophenyl)sulfonyl-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100765733

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide (CID 23608871) is 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide is COCC(C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide?
The InChIKey is YWQDVZDPRGISOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-13(12-26-2)21-19(23)15-3-8-18-14(11-15)9-10-22(18)27(24,25)17-6-4-16(20)5-7-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide has a molecular weight of 408.91 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 23608871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).