3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

C14H21ClN2O3S — CID 62525698

IUPAC3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C14H21ClN2O3S/c1-10-3-2-6-14(8-10,9-18)17-21(19,20)11-4-5-12(15)13(16)7-11/h4-5,7,10,17-18H,2-3,6,8-9,16H2,1H3
InChIKeyNVSCKKFCUHHFNG-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.14
Rot. Bonds4

About 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide

3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (PubChem CID 62525698) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
PubChem CID62525698
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
SMILESCC1CCCC(CO)(NS(=O)(=O)c2ccc(Cl)c(N)c2)C1
InChIInChI=1S/C14H21ClN2O3S/c1-10-3-2-6-14(8-10,9-18)17-21(19,20)11-4-5-12(15)13(16)7-11/h4-5,7,10,17-18H,2-3,6,8-9,16H2,1H3
InChIKeyNVSCKKFCUHHFNG-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

4-amino-3-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 82845931
3-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527752
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527403
4-cyano-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62527220
2-chloro-4-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525664
3-amino-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2-methylbenzenesulfonamide
CID 62527798
5-bromo-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-sulfonamide
CID 80577795
4-amino-2-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide
CID 62525701
2-chloro-5-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzoic acid
CID 62518568
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclohexyl]benzenesulfonamide
CID 62527592
[1-(2-amino-6-chloroanilino)-3-methylcyclohexyl]methanol
CID 62551812
N-[1-(bromomethyl)-3-methylcyclohexyl]-3,4-difluorobenzenesulfonamide
CID 114293927

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide (CID 62525698) is 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is CC1CCCC(CO)(NS(=O)(=O)c2ccc(Cl)c(N)c2)C1.
What is the InChIKey of 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
The InChIKey is NVSCKKFCUHHFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-10-3-2-6-14(8-10,9-18)17-21(19,20)11-4-5-12(15)13(16)7-11/h4-5,7,10,17-18H,2-3,6,8-9,16H2,1H3.
What are the key properties of 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide?
3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]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 3-amino-4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzenesulfonamide is sourced from PubChem (CID 62525698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).