5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

C13H19ClN2O3S — CID 106119339

IUPAC5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C13H19ClN2O3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,16-17H,1-3,6,8,15H2
InChIKeyOBKWDRYUXSKBPD-UHFFFAOYSA-N
MW318.83 g/mol
LogP1.75
Rot. Bonds4

About 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide

5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (PubChem CID 106119339) has the molecular formula C13H19ClN2O3S and a molecular weight of 318.83 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
PubChem CID106119339
Molecular FormulaC13H19ClN2O3S
Molecular Weight318.83 g/mol
Exact Mass318.08
IUPAC Name5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
SMILESNc1ccc(Cl)c(S(=O)(=O)NCC2CCCC(O)C2)c1
InChIInChI=1S/C13H19ClN2O3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,16-17H,1-3,6,8,15H2
InChIKeyOBKWDRYUXSKBPD-UHFFFAOYSA-N
XLogP1.75
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
5-amino-3-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119384
3-amino-2,4-dichloro-N-[(3-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106119157
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 104859262
5-amino-3-bromo-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119387
2-amino-5-bromo-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119313
5-chloro-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 103835873
3,5-dichloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 103835805
5-amino-2-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106006680
3-amino-2,4-difluoro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 106119335
1-(4-aminophenyl)-N-[(3-hydroxycyclohexyl)methyl]methanesulfonamide
CID 106119368

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide (CID 106119339) is 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is Nc1ccc(Cl)c(S(=O)(=O)NCC2CCCC(O)C2)c1.
What is the InChIKey of 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
The InChIKey is OBKWDRYUXSKBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3S/c14-12-5-4-10(15)7-13(12)20(18,19)16-8-9-2-1-3-11(17)6-9/h4-5,7,9,11,16-17H,1-3,6,8,15H2.
What are the key properties of 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide?
5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide has a molecular weight of 318.83 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(3-hydroxycyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106119339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).