N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide

C15H21N3O2S — CID 115309375

IUPACN-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C15H21N3O2S/c16-10-12-5-4-8-14(9-12)21(19,20)18-15(11-17)13-6-2-1-3-7-13/h4-5,8-9,13,15,18H,1-3,6-7,11,17H2
InChIKeyXTYWZWZJRCVKHH-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.74
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide (PubChem CID 115309375) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
PubChem CID115309375
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C15H21N3O2S/c16-10-12-5-4-8-14(9-12)21(19,20)18-15(11-17)13-6-2-1-3-7-13/h4-5,8-9,13,15,18H,1-3,6-7,11,17H2
InChIKeyXTYWZWZJRCVKHH-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-N-(1-cyclohexylpropyl)benzenesulfonamide
CID 62407232
N-(2-amino-1-cyclohexylethyl)benzenesulfonamide
CID 61122381
N-(2-amino-1-cyclopentylethyl)-2-chloro-4-cyanobenzenesulfonamide
CID 106737922
N-(2-amino-1-cyclohexylethyl)-3-cyano-4-fluorobenzenesulfonamide
CID 119983686
N-(2-amino-1-cyclohexylethyl)-3-chloro-2-cyanobenzenesulfonamide
CID 119983523
3-cyano-N-(cycloheptylmethyl)benzenesulfonamide
CID 3671266
N-(2-amino-1-cyclohexylethyl)-3,5-difluorobenzenesulfonamide
CID 115309326
3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
N-(2-amino-1-cyclohexylethyl)-2-cyanopyridine-3-sulfonamide
CID 106598645
propan-2-yl (2S)-2-[(3-cyanophenyl)sulfonylamino]propanoate
CID 124588327
N-(2-amino-1-cyclopentylethyl)-4-chlorobenzenesulfonamide
CID 106737819
N-(2-amino-1-cyclohexylethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120710803

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide (CID 115309375) is N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide is N#Cc1cccc(S(=O)(=O)NC(CN)C2CCCCC2)c1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide?
The InChIKey is XTYWZWZJRCVKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c16-10-12-5-4-8-14(9-12)21(19,20)18-15(11-17)13-6-2-1-3-7-13/h4-5,8-9,13,15,18H,1-3,6-7,11,17H2.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-3-cyanobenzenesulfonamide is sourced from PubChem (CID 115309375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).