2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C19H19ClN2O3S — CID 42892758

IUPAC2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H19ClN2O3S/c1-12-10-13-4-2-3-5-17(13)22(12)19(23)14-6-9-16(20)18(11-14)26(24,25)21-15-7-8-15/h2-6,9,11-12,15,21H,7-8,10H2,1H3
InChIKeyOYTPKSZCEQLGOA-UHFFFAOYSA-N
MW390.89 g/mol
LogP3.37
Rot. Bonds4

About 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide

2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 42892758) has the molecular formula C19H19ClN2O3S and a molecular weight of 390.89 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID42892758
Molecular FormulaC19H19ClN2O3S
Molecular Weight390.89 g/mol
Exact Mass390.08
IUPAC Name2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESCC1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1
InChIInChI=1S/C19H19ClN2O3S/c1-12-10-13-4-2-3-5-17(13)22(12)19(23)14-6-9-16(20)18(11-14)26(24,25)21-15-7-8-15/h2-6,9,11-12,15,21H,7-8,10H2,1H3
InChIKeyOYTPKSZCEQLGOA-UHFFFAOYSA-N
XLogP3.37
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 109063192
N-cyclopropyl-4-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 42940847
(3,5-dichloro-4-hydroxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 11702524
(3-chloro-4-methoxyphenyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133184168
4-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-(2-methylpropyl)benzenesulfonamide
CID 109058986
2-fluoro-5-(2-methyl-2,3-dihydroindole-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 134004891
4-chloro-N-methyl-3-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 55524756
(2-methyl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 15274130
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
[4-(methylamino)phenyl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 62173307
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 4-chloro-3-(cyclopropylsulfamoyl)benzoate
CID 27539092
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 92533173

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 42892758) is 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is CC1Cc2ccccc2N1C(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1.
What is the InChIKey of 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is OYTPKSZCEQLGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3S/c1-12-10-13-4-2-3-5-17(13)22(12)19(23)14-6-9-16(20)18(11-14)26(24,25)21-15-7-8-15/h2-6,9,11-12,15,21H,7-8,10H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 390.89 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-5-(2-methyl-2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 42892758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).