2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide

C15H13N3O2S — CID 43604300

IUPAC2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C15H13N3O2S/c16-10-12-3-1-2-4-15(12)21(19,20)18-13-5-6-14-11(9-13)7-8-17-14/h1-6,9,17-18H,7-8H2
InChIKeyNSJQOTZPXOLTSS-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.33
Rot. Bonds3

About 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide

2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide (PubChem CID 43604300) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
PubChem CID43604300
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide
SMILESN#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCN2
InChIInChI=1S/C15H13N3O2S/c16-10-12-3-1-2-4-15(12)21(19,20)18-13-5-6-14-11(9-13)7-8-17-14/h1-6,9,17-18H,7-8H2
InChIKeyNSJQOTZPXOLTSS-UHFFFAOYSA-N
XLogP2.33
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide (CID 43604300) is 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide is N#Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)CCN2.
What is the InChIKey of 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
The InChIKey is NSJQOTZPXOLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c16-10-12-3-1-2-4-15(12)21(19,20)18-13-5-6-14-11(9-13)7-8-17-14/h1-6,9,17-18H,7-8H2.
What are the key properties of 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide?
2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide has a molecular weight of 299.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2,3-dihydro-1H-indol-5-yl)benzenesulfonamide is sourced from PubChem (CID 43604300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).