2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide

C13H15ClN2O2S — CID 103989437

IUPAC2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC2CC2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c14-12-8-11(9-15)5-6-13(12)19(17,18)16-7-1-2-10-3-4-10/h5-6,8,10,16H,1-4,7H2
InChIKeyWSVOXKKROHRKEJ-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.68
Rot. Bonds6

About 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide

2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide (PubChem CID 103989437) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
PubChem CID103989437
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.79 g/mol
Exact Mass298.05
IUPAC Name2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide
SMILESN#Cc1ccc(S(=O)(=O)NCCCC2CC2)c(Cl)c1
InChIInChI=1S/C13H15ClN2O2S/c14-12-8-11(9-15)5-6-13(12)19(17,18)16-7-1-2-10-3-4-10/h5-6,8,10,16H,1-4,7H2
InChIKeyWSVOXKKROHRKEJ-UHFFFAOYSA-N
XLogP2.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-cyano-N-(2,2-dimethylpropyl)benzenesulfonamide
CID 103989185
N-(2-butoxyethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 103989243
2-chloro-4-cyano-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 103989092
2-chloro-4-cyano-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 136521741
2-chloro-4-cyano-N-(2-prop-2-ynylsulfanylethyl)benzenesulfonamide
CID 103989505
N-(3-bromopropyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704321
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-4-cyanobenzenesulfonamide
CID 103989367
2-chloro-4-cyano-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114942473
2-chloro-4-cyano-N-(1,4-dithian-2-ylmethyl)benzenesulfonamide
CID 103989835
2-chloro-4-cyano-N-(1-cyclopropylethyl)benzenesulfonamide
CID 103988900
2-chloro-5-cyano-N-octylbenzenesulfonamide
CID 115568164

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide (CID 103989437) is 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide is N#Cc1ccc(S(=O)(=O)NCCCC2CC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide?
The InChIKey is WSVOXKKROHRKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S/c14-12-8-11(9-15)5-6-13(12)19(17,18)16-7-1-2-10-3-4-10/h5-6,8,10,16H,1-4,7H2.
What are the key properties of 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide?
2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide has a molecular weight of 298.79 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-cyano-N-(3-cyclopropylpropyl)benzenesulfonamide is sourced from PubChem (CID 103989437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).