4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

C14H19N3O2S — CID 63822731

IUPAC4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(N)cc2C#N)CCCC1
InChIInChI=1S/C14H19N3O2S/c1-14(6-2-3-7-14)10-17-20(18,19)13-5-4-12(16)8-11(13)9-15/h4-5,8,17H,2-3,6-7,10,16H2,1H3
InChIKeyHUOHYACVDVLSRS-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.00
Rot. Bonds4

About 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide

4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (PubChem CID 63822731) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
PubChem CID63822731
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccc(N)cc2C#N)CCCC1
InChIInChI=1S/C14H19N3O2S/c1-14(6-2-3-7-14)10-17-20(18,19)13-5-4-12(16)8-11(13)9-15/h4-5,8,17H,2-3,6-7,10,16H2,1H3
InChIKeyHUOHYACVDVLSRS-UHFFFAOYSA-N
XLogP2.00
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
5-amino-2-ethyl-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63821839
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
4-amino-2-cyano-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636597
5-amino-2-ethoxy-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63831793
4-amino-2-cyano-N-pent-4-ynylbenzenesulfonamide
CID 106219873
4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
CID 60921087
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
4-amino-2-cyano-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628427
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371
4-amino-2-cyano-N-pentan-3-ylbenzenesulfonamide
CID 43255682
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide (CID 63822731) is 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccc(N)cc2C#N)CCCC1.
What is the InChIKey of 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
The InChIKey is HUOHYACVDVLSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-14(6-2-3-7-14)10-17-20(18,19)13-5-4-12(16)8-11(13)9-15/h4-5,8,17H,2-3,6-7,10,16H2,1H3.
What are the key properties of 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide?
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63822731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).