5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide

C13H18ClNO3S — CID 71786251

IUPAC5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H18ClNO3S/c1-9-5-6-10(14)7-13(9)19(17,18)15-11-3-2-4-12(16)8-11/h5-7,11-12,15-16H,2-4,8H2,1H3
InChIKeyREEPYZLYCHVKSX-UHFFFAOYSA-N
MW303.81 g/mol
LogP2.23
Rot. Bonds3

About 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide

5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide (PubChem CID 71786251) has the molecular formula C13H18ClNO3S and a molecular weight of 303.81 g/mol. Its IUPAC name is 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide
PubChem CID71786251
Molecular FormulaC13H18ClNO3S
Molecular Weight303.81 g/mol
Exact Mass303.07
IUPAC Name5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NC1CCCC(O)C1
InChIInChI=1S/C13H18ClNO3S/c1-9-5-6-10(14)7-13(9)19(17,18)15-11-3-2-4-12(16)8-11/h5-7,11-12,15-16H,2-4,8H2,1H3
InChIKeyREEPYZLYCHVKSX-UHFFFAOYSA-N
XLogP2.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide (CID 71786251) is 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NC1CCCC(O)C1.
What is the InChIKey of 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
The InChIKey is REEPYZLYCHVKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO3S/c1-9-5-6-10(14)7-13(9)19(17,18)15-11-3-2-4-12(16)8-11/h5-7,11-12,15-16H,2-4,8H2,1H3.
What are the key properties of 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide?
5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide has a molecular weight of 303.81 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-hydroxycyclohexyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 71786251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).