5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

C14H21ClN2O3S — CID 65115078

IUPAC5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-10-4-6-14(18,7-5-10)9-17-21(19,20)13-8-11(16)2-3-12(13)15/h2-3,8,10,17-18H,4-7,9,16H2,1H3
InChIKeyHTNPWISEECPBSZ-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.14
Rot. Bonds4

About 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide

5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65115078) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65115078
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(O)(CNS(=O)(=O)c2cc(N)ccc2Cl)CC1
InChIInChI=1S/C14H21ClN2O3S/c1-10-4-6-14(18,7-5-10)9-17-21(19,20)13-8-11(16)2-3-12(13)15/h2-3,8,10,17-18H,4-7,9,16H2,1H3
InChIKeyHTNPWISEECPBSZ-UHFFFAOYSA-N
XLogP2.14
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115511
2-amino-4-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115559
5-amino-2-chloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 29031468
2,4-dibromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65121246
3-amino-4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide
CID 65115419
1-[(4-amino-2,6-dichloroanilino)methyl]-4-methylcyclohexan-1-ol
CID 106890503
5-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 65123017
5-amino-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43370966
4-amino-N-[(1-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 65102885
4-amino-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65115478
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 65119728
2-chloro-5-cyano-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 80704617

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide (CID 65115078) is 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(O)(CNS(=O)(=O)c2cc(N)ccc2Cl)CC1.
What is the InChIKey of 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is HTNPWISEECPBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10-4-6-14(18,7-5-10)9-17-21(19,20)13-8-11(16)2-3-12(13)15/h2-3,8,10,17-18H,4-7,9,16H2,1H3.
What are the key properties of 5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide?
5-amino-2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 332.85 g/mol, XLogP of 2.14, 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-[(1-hydroxy-4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65115078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).