N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide

C15H21N3O2S — CID 103829061

IUPACN-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C15H21N3O2S/c1-11-9-12(10-16)3-8-15(11)21(19,20)18(2)14-6-4-13(17)5-7-14/h3,8-9,13-14H,4-7,17H2,1-2H3
InChIKeyWCQAVWKVAFCYCV-UHFFFAOYSA-N
MW307.42 g/mol
LogP1.76
Rot. Bonds3

About N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide

N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide (PubChem CID 103829061) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
PubChem CID103829061
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide
SMILESCc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCC(N)CC1
InChIInChI=1S/C15H21N3O2S/c1-11-9-12(10-16)3-8-15(11)21(19,20)18(2)14-6-4-13(17)5-7-14/h3,8-9,13-14H,4-7,17H2,1-2H3
InChIKeyWCQAVWKVAFCYCV-UHFFFAOYSA-N
XLogP1.76
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-5-cyano-N,2-dimethylbenzenesulfonamide
CID 79113445
4-cyano-N,2-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 103717226
N-(4-aminocyclohexyl)-4-chloro-N,2-dimethylbenzenesulfonamide
CID 79121392
4-cyano-N,N,2-trimethylbenzenesulfonamide
CID 103688766
N-(4-aminocyclohexyl)-2-chloro-N,4-dimethylbenzenesulfonamide
CID 79121472
N-(4-aminocyclohexyl)-1-(3-cyanophenyl)-N-methylmethanesulfonamide
CID 79113614
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile
CID 103828847
N-(3-aminopropyl)-4-cyano-N,2-dimethylbenzenesulfonamide
CID 103829032
N-(3-aminocyclobutyl)-4-cyano-2-methylbenzenesulfonamide
CID 106998868
4-[(3R)-3-aminopyrrolidin-1-yl]sulfonyl-3-methylbenzonitrile;hydrochloride
CID 119962403
4-cyano-N-(2-hydroxyethyl)-N,2-dimethylbenzenesulfonamide
CID 103833705
2-amino-4-cyano-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741463

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide (CID 103829061) is N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide is Cc1cc(C#N)ccc1S(=O)(=O)N(C)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide?
The InChIKey is WCQAVWKVAFCYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-11-9-12(10-16)3-8-15(11)21(19,20)18(2)14-6-4-13(17)5-7-14/h3,8-9,13-14H,4-7,17H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide?
N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-cyano-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 103829061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).