3-cyano-N-(1H-indol-5-yl)benzenesulfonamide

C15H11N3O2S — CID 5239673

IUPAC3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H11N3O2S/c16-10-11-2-1-3-14(8-11)21(19,20)18-13-4-5-15-12(9-13)6-7-17-15/h1-9,17-18H
InChIKeyBZUGXFPZQGDMOR-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.84
Rot. Bonds3

About 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide

3-cyano-N-(1H-indol-5-yl)benzenesulfonamide (PubChem CID 5239673) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
PubChem CID5239673
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name3-cyano-N-(1H-indol-5-yl)benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C15H11N3O2S/c16-10-11-2-1-3-14(8-11)21(19,20)18-13-4-5-15-12(9-13)6-7-17-15/h1-9,17-18H
InChIKeyBZUGXFPZQGDMOR-UHFFFAOYSA-N
XLogP2.84
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-indol-5-yl)naphthalene-2-sulfonamide
CID 3718023
3-cyano-N-[3-(methanesulfonamido)phenyl]benzenesulfonamide
CID 25331446
N-(4-bromo-3-chlorophenyl)-3-cyanobenzenesulfonamide
CID 103822995
N-(4-chloro-3-nitrophenyl)-3-cyanobenzenesulfonamide
CID 8523387
4-[(3-cyanophenyl)sulfonylamino]benzoate
CID 8015569
3-cyano-N-(4-phenoxyphenyl)benzenesulfonamide
CID 40604675
3-cyano-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)benzenesulfonamide
CID 5161699
N-(6-bromo-3-pyridinyl)-3-cyanobenzenesulfonamide
CID 103775599
3-cyano-N-(3-cyano-1H-inden-5-yl)benzenesulfonamide
CID 159870746
5-(sulfamoylamino)-1H-indole
CID 112573166
5-(dimethylsulfamoylamino)-1H-indole
CID 22611354
3-cyano-N-(2-iodophenyl)benzenesulfonamide
CID 7938667

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide (CID 5239673) is 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide is N#Cc1cccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide?
The InChIKey is BZUGXFPZQGDMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2S/c16-10-11-2-1-3-14(8-11)21(19,20)18-13-4-5-15-12(9-13)6-7-17-15/h1-9,17-18H.
What are the key properties of 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide?
3-cyano-N-(1H-indol-5-yl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-(1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 5239673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).