3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide

C14H23N3O3S — CID 62360493

IUPAC3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCCCC2O)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(19,20)10-7-8-12(11(15)9-10)16-13-5-3-4-6-14(13)18/h7-9,13-14,16,18H,3-6,15H2,1-2H3
InChIKeyYKCKQEJUMDQJDF-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.23
Rot. Bonds4

About 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide

3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 62360493) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
PubChem CID62360493
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NC2CCCCC2O)c(N)c1
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(19,20)10-7-8-12(11(15)9-10)16-13-5-3-4-6-14(13)18/h7-9,13-14,16,18H,3-6,15H2,1-2H3
InChIKeyYKCKQEJUMDQJDF-UHFFFAOYSA-N
XLogP1.23
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N,N-dimethyl-4-[(2-methylcyclopentyl)amino]benzenesulfonamide
CID 63277953
3-amino-4-[(2,3-dimethylcyclopentyl)amino]-N,N-dimethylbenzenesulfonamide
CID 64909074
4-amino-N-ethyl-3-[(2-hydroxycyclohexyl)amino]benzenesulfonamide
CID 82898670
3-amino-4-(2-aminoethylamino)-N,N-dimethylbenzenesulfonamide
CID 62483234
2-[2-amino-4-(dimethylsulfamoyl)anilino]propanamide
CID 43545447
3-amino-4-ethyl-N-[(1R,2R)-2-hydroxycyclohexyl]benzenesulfonamide
CID 107213563
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 115358157
3-amino-4-bromo-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 115329229
3-amino-N,N-dimethyl-4-(2-methylanilino)benzenesulfonamide
CID 43341118
3-[2-amino-4-(dimethylsulfamoyl)anilino]-2,2-dimethylpropanamide
CID 106275246
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
3-amino-4-(2-methoxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 43162681

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide (CID 62360493) is 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NC2CCCCC2O)c(N)c1.
What is the InChIKey of 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is YKCKQEJUMDQJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(2)21(19,20)10-7-8-12(11(15)9-10)16-13-5-3-4-6-14(13)18/h7-9,13-14,16,18H,3-6,15H2,1-2H3.
What are the key properties of 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide?
3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-hydroxycyclohexyl)amino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 62360493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).