1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide

C21H17BrN2O3S — CID 46262940

IUPAC1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN2O3S/c22-17-7-9-19(10-8-17)28(26,27)24-13-12-15-14-16(6-11-20(15)24)21(25)23-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,25)
InChIKeyGHPOFXBGDPAZGY-UHFFFAOYSA-N
MW457.35 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide

1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide (PubChem CID 46262940) has the molecular formula C21H17BrN2O3S and a molecular weight of 457.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
PubChem CID46262940
Molecular FormulaC21H17BrN2O3S
Molecular Weight457.35 g/mol
Exact Mass456.01
IUPAC Name1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C21H17BrN2O3S/c22-17-7-9-19(10-8-17)28(26,27)24-13-12-15-14-16(6-11-20(15)24)21(25)23-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,25)
InChIKeyGHPOFXBGDPAZGY-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(benzenesulfonyl)-N-(3-bromophenyl)-2,3-dihydroindole-5-carboxamide
CID 46262859
1-(benzenesulfonyl)-N-(4-ethoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 46262869
1-(4-bromophenyl)sulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 52582833
3-(2,3-dihydroindol-1-ylsulfonyl)-N-phenylbenzamide
CID 2704832
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
1-(4-chlorophenyl)sulfonyl-N-[1-(4-chlorophenyl)sulfonyl-2,3-dihydroindol-6-yl]-2,3-dihydroindole-5-carboxamide
CID 100765353
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 109061663
1-(4-chlorophenyl)sulfonyl-N-(3,4-dichlorophenyl)-2,3-dihydroindole-5-carboxamide
CID 100765624
1-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)-2,3-dihydroindole-5-carboxamide
CID 100766585
1-(4-chlorophenyl)sulfonyl-N-[4-(cyanomethyl)phenyl]-2,3-dihydroindole-5-carboxamide
CID 100801370
ethyl 1-[4-[[1-(benzenesulfonyl)-2,3-dihydroindole-5-carbonyl]amino]phenyl]cyclopropane-1-carboxylate
CID 100766467
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55383141

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide (CID 46262940) is 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide is O=C(Nc1ccccc1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is GHPOFXBGDPAZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3S/c22-17-7-9-19(10-8-17)28(26,27)24-13-12-15-14-16(6-11-20(15)24)21(25)23-18-4-2-1-3-5-18/h1-11,14H,12-13H2,(H,23,25).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide?
1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 457.35 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-phenyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 46262940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).