4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide

C13H17BrClNO2S — CID 2439979

IUPAC4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyLFQKXPLAHWKBHJ-UHFFFAOYSA-N
MW366.71 g/mol
LogP4.06
Rot. Bonds3

About 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide (PubChem CID 2439979) has the molecular formula C13H17BrClNO2S and a molecular weight of 366.71 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide
PubChem CID2439979
Molecular FormulaC13H17BrClNO2S
Molecular Weight366.71 g/mol
Exact Mass364.99
IUPAC Name4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C13H17BrClNO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6H2,1H3
InChIKeyLFQKXPLAHWKBHJ-UHFFFAOYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.71
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide (CID 2439979) is 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide?
The InChIKey is LFQKXPLAHWKBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2S/c1-16(11-5-3-2-4-6-11)19(17,18)13-8-7-10(14)9-12(13)15/h7-9,11H,2-6H2,1H3.
What are the key properties of 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide has a molecular weight of 366.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 2439979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).