N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide

C21H17ClN2O3S — CID 2632900

IUPACN-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H17ClN2O3S/c22-17-7-4-8-18(14-17)23-28(26,27)19-9-3-6-16(13-19)21(25)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14,23H,11-12H2
InChIKeyFZTWQVJAHJHIAA-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.34
Rot. Bonds4

About N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide

N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide (PubChem CID 2632900) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
PubChem CID2632900
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide
SMILESO=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCc2ccccc21
InChIInChI=1S/C21H17ClN2O3S/c22-17-7-4-8-18(14-17)23-28(26,27)19-9-3-6-16(13-19)21(25)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14,23H,11-12H2
InChIKeyFZTWQVJAHJHIAA-UHFFFAOYSA-N
XLogP4.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorobenzoyl)-N-(3-chlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248218
3-(2,3-dihydroindole-1-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 26681015
1-(3-chlorobenzoyl)-N-(3,5-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248230
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]methanesulfonamide
CID 8001369
N-[4-chloro-3-(2,3-dihydroindole-1-carbonyl)phenyl]benzenesulfonamide
CID 99953294
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-ethylbenzenesulfonamide
CID 51160598
[3-(azepan-1-ylsulfonyl)phenyl]-(2,3-dihydroindol-1-yl)methanone
CID 1202064
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
4-(2,3-dihydroindole-1-carbonyl)-N-(3,4-dimethylphenyl)benzenesulfonamide
CID 43006039
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 7900124
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 109064798
N-[3-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 26290520

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide (CID 2632900) is N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide is O=C(c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)N1CCc2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
The InChIKey is FZTWQVJAHJHIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-17-7-4-8-18(14-17)23-28(26,27)19-9-3-6-16(13-19)21(25)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14,23H,11-12H2.
What are the key properties of N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide?
N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide has a molecular weight of 412.90 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-(2,3-dihydroindole-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 2632900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).