2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide

C14H20ClNO3S — CID 65121838

IUPAC2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO3S/c1-11-5-4-8-14(17,9-11)10-16-20(18,19)13-7-3-2-6-12(13)15/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3
InChIKeyMDBQYAYOQNPCQH-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.56
Rot. Bonds4

About 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide

2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 65121838) has the molecular formula C14H20ClNO3S and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID65121838
Molecular FormulaC14H20ClNO3S
Molecular Weight317.84 g/mol
Exact Mass317.09
IUPAC Name2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCCC(O)(CNS(=O)(=O)c2ccccc2Cl)C1
InChIInChI=1S/C14H20ClNO3S/c1-11-5-4-8-14(17,9-11)10-16-20(18,19)13-7-3-2-6-12(13)15/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3
InChIKeyMDBQYAYOQNPCQH-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide (CID 65121838) is 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCCC(O)(CNS(=O)(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is MDBQYAYOQNPCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3S/c1-11-5-4-8-14(17,9-11)10-16-20(18,19)13-7-3-2-6-12(13)15/h2-3,6-7,11,16-17H,4-5,8-10H2,1H3.
What are the key properties of 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide?
2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 317.84 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 65121838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).