2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide

C14H14ClN3O2S — CID 80697349

IUPAC2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
SMILESN#CCN(C1CCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H14ClN3O2S/c15-13-6-5-11(10-17)9-14(13)21(19,20)18(8-7-16)12-3-1-2-4-12/h5-6,9,12H,1-4,8H2
InChIKeyXSYGEBWVPWEAHX-UHFFFAOYSA-N
MW323.81 g/mol
LogP2.67
Rot. Bonds4

About 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide

2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide (PubChem CID 80697349) has the molecular formula C14H14ClN3O2S and a molecular weight of 323.81 g/mol. Its IUPAC name is 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
PubChem CID80697349
Molecular FormulaC14H14ClN3O2S
Molecular Weight323.81 g/mol
Exact Mass323.05
IUPAC Name2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide
SMILESN#CCN(C1CCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl
InChIInChI=1S/C14H14ClN3O2S/c15-13-6-5-11(10-17)9-14(13)21(19,20)18(8-7-16)12-3-1-2-4-12/h5-6,9,12H,1-4,8H2
InChIKeyXSYGEBWVPWEAHX-UHFFFAOYSA-N
XLogP2.67
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.81
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-cyano-N-cyclohexyl-N-ethylbenzenesulfonamide
CID 80697368
2-chloro-5-cyano-N,N-bis(cyclopropylmethyl)benzenesulfonamide
CID 80693301
2-chloro-5-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 80697087
2-chloro-4-cyano-N-cyclopropyl-N-(3-methylbutyl)benzenesulfonamide
CID 103989018
N-(2-aminocyclohexyl)-2-chloro-5-cyanobenzenesulfonamide
CID 80704769
6-cyano-N-(cyanomethyl)-N-cyclopentylpyridine-3-sulfonamide
CID 115641421
2-chloro-5-cyano-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 80704707
2-chloro-5-cyano-N-(1-cyclopentylethyl)benzenesulfonamide
CID 80703898
methyl 2-[(2-chloro-5-cyanophenyl)sulfonyl-methylamino]acetate
CID 80704406
4-chloro-3-(2-ethylazepan-1-yl)sulfonylbenzonitrile
CID 104689863
2-chloro-5-cyano-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzenesulfonamide
CID 112659609
2-chloro-5-cyano-N-methyl-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 80704425

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide?
The IUPAC name of 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide (CID 80697349) is 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide is N#CCN(C1CCCC1)S(=O)(=O)c1cc(C#N)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide?
The InChIKey is XSYGEBWVPWEAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2S/c15-13-6-5-11(10-17)9-14(13)21(19,20)18(8-7-16)12-3-1-2-4-12/h5-6,9,12H,1-4,8H2.
What are the key properties of 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide?
2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide has a molecular weight of 323.81 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyano-N-(cyanomethyl)-N-cyclopentylbenzenesulfonamide is sourced from PubChem (CID 80697349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).