N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

C21H17ClN2O3S — CID 7900124

IUPACN-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H17ClN2O3S/c22-17-7-4-8-18(14-17)23-21(25)16-6-3-9-19(13-16)28(26,27)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25)
InChIKeyNNTIZBGKCIBMPL-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.34
Rot. Bonds4

About N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide

N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (PubChem CID 7900124) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
PubChem CID7900124
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC NameN-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
SMILESO=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C21H17ClN2O3S/c22-17-7-4-8-18(14-17)23-21(25)16-6-3-9-19(13-16)28(26,27)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25)
InChIKeyNNTIZBGKCIBMPL-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

3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
3-(2,3-dihydroindol-1-ylsulfonyl)-N-pyridin-3-ylbenzamide
CID 2477308
N-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole-6-carboxamide
CID 141166298
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-phenylpyrimidin-5-yl)benzamide
CID 134009183
N-[4-(cyclopropylcarbamoylamino)phenyl]-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55532354
3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 7062520
N-[1-(benzenesulfonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-chlorobenzamide
CID 18584172
3-(2,3-dihydroindol-1-ylsulfonyl)-N-[4-(N-propan-2-ylanilino)phenyl]benzamide
CID 2509035
N-(2-benzamidoethyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide
CID 55549519
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2,3-dimethylphenyl)benzamide
CID 7947076
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(2-propan-2-ylphenyl)benzamide
CID 7958230

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide (CID 7900124) is N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide is O=C(Nc1cccc(Cl)c1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
The InChIKey is NNTIZBGKCIBMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c22-17-7-4-8-18(14-17)23-21(25)16-6-3-9-19(13-16)28(26,27)24-12-11-15-5-1-2-10-20(15)24/h1-10,13-14H,11-12H2,(H,23,25).
What are the key properties of N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide?
N-(3-chlorophenyl)-3-(2,3-dihydroindol-1-ylsulfonyl)benzamide 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-dihydroindol-1-ylsulfonyl)benzamide is sourced from PubChem (CID 7900124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).