4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide

C15H21N3O2S — CID 60921087

IUPAC4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C15H21N3O2S/c16-11-13-10-14(17)6-7-15(13)21(19,20)18-9-8-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9,17H2
InChIKeyOGMSNUOGAJCLET-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.39
Rot. Bonds5

About 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide

4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide (PubChem CID 60921087) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
PubChem CID60921087
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide
SMILESN#Cc1cc(N)ccc1S(=O)(=O)NCCC1CCCCC1
InChIInChI=1S/C15H21N3O2S/c16-11-13-10-14(17)6-7-15(13)21(19,20)18-9-8-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9,17H2
InChIKeyOGMSNUOGAJCLET-UHFFFAOYSA-N
XLogP2.39
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.39
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-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 62636597
4-amino-2-cyano-N-ethylbenzenesulfonamide
CID 43255698
4-amino-2-cyano-N-(thiolan-3-ylmethyl)benzenesulfonamide
CID 107294800
4-amino-2-cyano-N-pent-4-ynylbenzenesulfonamide
CID 106219873
4-amino-2-cyano-N-[(1-methylcyclopentyl)methyl]benzenesulfonamide
CID 63822731
5-amino-2-(cyclopentylmethylamino)benzonitrile
CID 61296175
3-[(4-amino-2-cyanophenyl)sulfonylamino]-2,2-dimethylpropanamide
CID 106274839
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
4-amino-2-cyano-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 93081252
1-(2-cyanophenyl)-N-(2-cyclopentylethyl)methanesulfonamide
CID 60733971
3-chloro-4-cyano-N-(2-cyclobutylethyl)benzenesulfonamide
CID 115690473
4-amino-2-cyano-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 43256371

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide (CID 60921087) is 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide is N#Cc1cc(N)ccc1S(=O)(=O)NCCC1CCCCC1.
What is the InChIKey of 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide?
The InChIKey is OGMSNUOGAJCLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-11-13-10-14(17)6-7-15(13)21(19,20)18-9-8-12-4-2-1-3-5-12/h6-7,10,12,18H,1-5,8-9,17H2.
What are the key properties of 4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide?
4-amino-2-cyano-N-(2-cyclohexylethyl)benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.39, 5 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-(2-cyclohexylethyl)benzenesulfonamide is sourced from PubChem (CID 60921087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).