4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide

C15H14ClN3O2S — CID 12043154

IUPAC4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C15H14ClN3O2S/c1-9-2-7-13(15-14(9)12(16)8-18-15)19-22(20,21)11-5-3-10(17)4-6-11/h2-8,18-19H,17H2,1H3
InChIKeyQXHBHHFLIFIYTQ-UHFFFAOYSA-N
MW335.82 g/mol
LogP3.51
Rot. Bonds3

About 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide

4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide (PubChem CID 12043154) has the molecular formula C15H14ClN3O2S and a molecular weight of 335.82 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide
PubChem CID12043154
Molecular FormulaC15H14ClN3O2S
Molecular Weight335.82 g/mol
Exact Mass335.05
IUPAC Name4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12
InChIInChI=1S/C15H14ClN3O2S/c1-9-2-7-13(15-14(9)12(16)8-18-15)19-22(20,21)11-5-3-10(17)4-6-11/h2-8,18-19H,17H2,1H3
InChIKeyQXHBHHFLIFIYTQ-UHFFFAOYSA-N
XLogP3.51
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.82
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Indisulam
CID 216468
E 7820
CID 196970
3-(3-chlorophenyl)sulfonyl-7-piperazin-1-yl-1H-indole
CID 10134086
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-fluorobenzenesulfonamide
CID 56944956
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-4-fluorobenzenesulfonamide
CID 66800947
N-[2-[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-3-methylbenzenesulfonamide
CID 66803474
Substituted phenylsulfonyltryptamine, 11d
CID 23655289
Substituted phenylsulfonyltryptamine, 11f
CID 23655462
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11200511
3-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11384146
3-chloro-N-[3-[[(2R)-pyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
CID 11463428
1-(2-Chloro-benzenesulfonyl)-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole
CID 44389003

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide (CID 12043154) is 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(N)cc2)c2[nH]cc(Cl)c12.
What is the InChIKey of 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is QXHBHHFLIFIYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2S/c1-9-2-7-13(15-14(9)12(16)8-18-15)19-22(20,21)11-5-3-10(17)4-6-11/h2-8,18-19H,17H2,1H3.
What are the key properties of 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide?
4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 335.82 g/mol, XLogP of 3.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methyl-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 12043154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).