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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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).