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

C14H11ClFN3O2S — CID 12043152

IUPAC4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H11ClFN3O2S/c15-10-7-18-14-12(6-5-11(16)13(10)14)19-22(20,21)9-3-1-8(17)2-4-9/h1-7,18-19H,17H2
InChIKeyRWAPHPQEOGTSAV-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.34
Rot. Bonds3

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

4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide (PubChem CID 12043152) has the molecular formula C14H11ClFN3O2S and a molecular weight of 339.78 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide
PubChem CID12043152
Molecular FormulaC14H11ClFN3O2S
Molecular Weight339.78 g/mol
Exact Mass339.02
IUPAC Name4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2ccc(F)c3c(Cl)c[nH]c23)cc1
InChIInChI=1S/C14H11ClFN3O2S/c15-10-7-18-14-12(6-5-11(16)13(10)14)19-22(20,21)9-3-1-8(17)2-4-9/h1-7,18-19H,17H2
InChIKeyRWAPHPQEOGTSAV-UHFFFAOYSA-N
XLogP3.34
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.34
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
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
4-fluoro-N-(2-indol-1-ylethyl)benzenesulfonamide
CID 4625387
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-fluoro-1H-indol-7-yl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide (CID 12043152) is 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2ccc(F)c3c(Cl)c[nH]c23)cc1.
What is the InChIKey of 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
The InChIKey is RWAPHPQEOGTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3O2S/c15-10-7-18-14-12(6-5-11(16)13(10)14)19-22(20,21)9-3-1-8(17)2-4-9/h1-7,18-19H,17H2.
What are the key properties of 4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide?
4-amino-N-(3-chloro-4-fluoro-1H-indol-7-yl)benzenesulfonamide has a molecular weight of 339.78 g/mol, XLogP of 3.34, 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-fluoro-1H-indol-7-yl)benzenesulfonamide is sourced from PubChem (CID 12043152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).