4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide

C14H23N3O3S — CID 82898670

IUPAC4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC2CCCCC2O)c1
InChIInChI=1S/C14H23N3O3S/c1-2-16-21(19,20)10-7-8-11(15)13(9-10)17-12-5-3-4-6-14(12)18/h7-9,12,14,16-18H,2-6,15H2,1H3
InChIKeyOGNCXVVNMYPJQN-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.28
Rot. Bonds5

About 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide

4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide (PubChem CID 82898670) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
PubChem CID82898670
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(N)c(NC2CCCCC2O)c1
InChIInChI=1S/C14H23N3O3S/c1-2-16-21(19,20)10-7-8-11(15)13(9-10)17-12-5-3-4-6-14(12)18/h7-9,12,14,16-18H,2-6,15H2,1H3
InChIKeyOGNCXVVNMYPJQN-UHFFFAOYSA-N
XLogP1.28
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-ethyl-3-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 82900359
4-amino-N-ethyl-3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzenesulfonamide
CID 114628698
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-cyclopropylacetamide
CID 82899994
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-N-methyl-3-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 82900869
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
2-[2-amino-5-(ethylsulfamoyl)anilino]-N-ethylacetamide
CID 82899334
4-amino-3-(1-cyclopropylpropan-2-ylamino)-N-ethylbenzenesulfonamide
CID 82900800
3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
CID 62360493
4-amino-3-cycloheptyloxy-N-ethylbenzenesulfonamide
CID 82902643
4-amino-N-ethyl-3-hydroxybenzenesulfonamide
CID 82901390
4-amino-N-ethyl-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 106328090

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide (CID 82898670) is 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide is CCNS(=O)(=O)c1ccc(N)c(NC2CCCCC2O)c1.
What is the InChIKey of 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide?
The InChIKey is OGNCXVVNMYPJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-16-21(19,20)10-7-8-11(15)13(9-10)17-12-5-3-4-6-14(12)18/h7-9,12,14,16-18H,2-6,15H2,1H3.
What are the key properties of 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide?
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.28, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide is sourced from PubChem (CID 82898670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).