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

C18H19ClN2O3S — CID 23608848

IUPAC1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-2-10-20-18(22)14-3-8-17-13(12-14)9-11-21(17)25(23,24)16-6-4-15(19)5-7-16/h3-8,12H,2,9-11H2,1H3,(H,20,22)
InChIKeyPPSFUBNKKNRGRP-UHFFFAOYSA-N
MW378.88 g/mol
LogP3.23
Rot. Bonds5

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

1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide (PubChem CID 23608848) has the molecular formula C18H19ClN2O3S and a molecular weight of 378.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
PubChem CID23608848
Molecular FormulaC18H19ClN2O3S
Molecular Weight378.88 g/mol
Exact Mass378.08
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide
SMILESCCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN2O3S/c1-2-10-20-18(22)14-3-8-17-13(12-14)9-11-21(17)25(23,24)16-6-4-15(19)5-7-16/h3-8,12H,2,9-11H2,1H3,(H,20,22)
InChIKeyPPSFUBNKKNRGRP-UHFFFAOYSA-N
XLogP3.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-1-(4-chlorophenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608850
1-(4-chlorophenyl)sulfonyl-N-pentyl-2,3-dihydroindole-5-carboxamide
CID 23608866
1-(4-chlorophenyl)sulfonyl-N-cyclopropyl-2,3-dihydroindole-5-carboxamide
CID 23608854
1-(4-chlorophenyl)sulfonyl-N-[(3-methylphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765297
1-(4-chlorophenyl)sulfonyl-N-[(2,6-dimethoxyphenyl)methyl]-2,3-dihydroindole-5-carboxamide
CID 100765259
1-(4-chlorophenyl)sulfonyl-N-cyclohexyl-2,3-dihydroindole-5-carboxamide
CID 23608855
1-(4-chlorophenyl)sulfonyl-N-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 100765315
(2S)-1-(4-chlorophenyl)sulfonyl-2-methyl-N-propyl-2,3-dihydroindole-5-carboxamide
CID 92670690
1-(4-chlorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)-2,3-dihydroindole-5-carboxamide
CID 23608871
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-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
N-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole-5-carboxamide
CID 23608841

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide (CID 23608848) is 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide is CCCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is PPSFUBNKKNRGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3S/c1-2-10-20-18(22)14-3-8-17-13(12-14)9-11-21(17)25(23,24)16-6-4-15(19)5-7-16/h3-8,12H,2,9-11H2,1H3,(H,20,22).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 378.88 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-propyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 23608848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).