3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide

C15H21N3O2S — CID 133319384

IUPAC3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
SMILESCCC1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1
InChIInChI=1S/C15H21N3O2S/c1-2-11-3-5-13(6-4-11)18-15-8-7-14(21(17,19)20)9-12(15)10-16/h7-9,11,13,18H,2-6H2,1H3,(H2,17,19,20)
InChIKeyRRBISNYHULRDKJ-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.59
Rot. Bonds4

About 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide

3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide (PubChem CID 133319384) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
PubChem CID133319384
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide
SMILESCCC1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1
InChIInChI=1S/C15H21N3O2S/c1-2-11-3-5-13(6-4-11)18-15-8-7-14(21(17,19)20)9-12(15)10-16/h7-9,11,13,18H,2-6H2,1H3,(H2,17,19,20)
InChIKeyRRBISNYHULRDKJ-UHFFFAOYSA-N
XLogP2.59
TPSA95.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-[[(1R,3R)-3-(dimethylamino)cyclohexyl]amino]benzenesulfonamide
CID 99814121
5-amino-2-[(3-ethylcyclohexyl)amino]benzonitrile
CID 64749210
3-cyano-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenesulfonamide
CID 133320890
N-(4-ethylcyclohexyl)-2-methyl-4-nitroaniline
CID 43719897
3-cyano-4-[[2-(4-fluorophenyl)cyclopentyl]amino]benzenesulfonamide
CID 133353643
4-[1-[(4-ethylcyclohexyl)amino]ethyl]benzenesulfonamide
CID 43681869
4-(cyclopropylmethylsulfonylamino)-3-methylbenzenesulfonamide
CID 64987508
3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
CID 64748145
3-cyano-4-[2-(3,5-dimethylpiperidin-1-yl)ethylamino]benzenesulfonamide
CID 71996747
3-(cyclopropylamino)-4-methoxybenzenesulfonamide
CID 103439129
5-amino-2-[(4-hydroxycyclohexyl)amino]benzonitrile
CID 61286168
5-chloro-2-(cyclopropylamino)benzonitrile
CID 62494157

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide (CID 133319384) is 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide is CCC1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1.
What is the InChIKey of 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide?
The InChIKey is RRBISNYHULRDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-2-11-3-5-13(6-4-11)18-15-8-7-14(21(17,19)20)9-12(15)10-16/h7-9,11,13,18H,2-6H2,1H3,(H2,17,19,20).
What are the key properties of 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide?
3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide has a molecular weight of 307.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-[(4-ethylcyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 133319384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).