1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

C17H16BrClN2O3S — CID 3491525

IUPAC1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C17H16BrClN2O3S/c1-10-7-12-8-13(18)9-16(17(12)21(10)11(2)22)25(23,24)20-15-5-3-14(19)4-6-15/h3-6,8-10,20H,7H2,1-2H3
InChIKeyNLJHCUULPIVNDQ-UHFFFAOYSA-N
MW443.75 g/mol
LogP4.20
Rot. Bonds3

About 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (PubChem CID 3491525) has the molecular formula C17H16BrClN2O3S and a molecular weight of 443.75 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
PubChem CID3491525
Molecular FormulaC17H16BrClN2O3S
Molecular Weight443.75 g/mol
Exact Mass441.98
IUPAC Name1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
SMILESCC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C17H16BrClN2O3S/c1-10-7-12-8-13(18)9-16(17(12)21(10)11(2)22)25(23,24)20-15-5-3-14(19)4-6-15/h3-6,8-10,20H,7H2,1-2H3
InChIKeyNLJHCUULPIVNDQ-UHFFFAOYSA-N
XLogP4.20
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-5-bromo-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15991661
1-acetyl-5-bromo-N-(3-methoxyphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15991662
1-acetyl-5-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 4085374
1-[(2S)-5-bromo-7-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 94850856
3-[[(2R)-1-acetyl-5-bromo-2-methyl-2,3-dihydroindol-7-yl]sulfonyl]-N-(4-bromophenyl)propanamide
CID 98196599
1-acetyl-5-bromo-N-[(4-methoxyphenyl)methyl]-2-methyl-2,3-dihydroindole-7-sulfonamide
CID 15987830
1-acetyl-5-bromo-2-methyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3239864
1-acetyl-5-bromo-2-methyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 4589801
1-[5-bromo-2-methyl-7-(2-methylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 4136249
1-acetyl-5-bromo-N-ethyl-2-methyl-N-phenyl-2,3-dihydroindole-7-sulfonamide
CID 15994157
1-[5-bromo-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 15992585
1-acetyl-5-bromo-N-[2-(4-chlorophenyl)ethyl]-2-methyl-2,3-dihydroindole-6-sulfonamide
CID 46505104

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide (CID 3491525) is 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide is CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)Nc2ccc(Cl)cc2)CC1C.
What is the InChIKey of 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
The InChIKey is NLJHCUULPIVNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2O3S/c1-10-7-12-8-13(18)9-16(17(12)21(10)11(2)22)25(23,24)20-15-5-3-14(19)4-6-15/h3-6,8-10,20H,7H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide has a molecular weight of 443.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-(4-chlorophenyl)-2-methyl-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 3491525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).