3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide

C14H19BrClNO2S — CID 153409995

IUPAC3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCC(c2ccc(Br)c(Cl)c2S(N)(=O)=O)CC1
InChIInChI=1S/C14H19BrClNO2S/c1-14(2)7-5-9(6-8-14)10-3-4-11(15)12(16)13(10)20(17,18)19/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19)
InChIKeyICFWHQXGQNYAOO-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.43
Rot. Bonds2

About 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide

3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 153409995) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide
PubChem CID153409995
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCC(c2ccc(Br)c(Cl)c2S(N)(=O)=O)CC1
InChIInChI=1S/C14H19BrClNO2S/c1-14(2)7-5-9(6-8-14)10-3-4-11(15)12(16)13(10)20(17,18)19/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19)
InChIKeyICFWHQXGQNYAOO-UHFFFAOYSA-N
XLogP4.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Bromo-2-chloro-6-(3,3-difluorocyclobutyl)benzenesulfonamide
CID 153410014
3-Bromo-2-chloro-6-(2,3-difluorophenyl)benzenesulfonamide
CID 153410025
3-Bromo-2-chloro-6-phenylbenzenesulfonamide
CID 153410000
3-Bromo-2-chloro-6-(2,3-dichlorophenyl)benzenesulfonamide
CID 153410005
3-Bromo-2-chloro-6-(4-hydroxy-4-methylcyclohexyl)benzenesulfonamide
CID 153410008
3-Bromo-2-chloro-6-methylbenzenesulfonamide
CID 131538709

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide (CID 153409995) is 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide is CC1(C)CCC(c2ccc(Br)c(Cl)c2S(N)(=O)=O)CC1.
What is the InChIKey of 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is ICFWHQXGQNYAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-14(2)7-5-9(6-8-14)10-3-4-11(15)12(16)13(10)20(17,18)19/h3-4,9H,5-8H2,1-2H3,(H2,17,18,19).
What are the key properties of 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide?
3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 380.74 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-6-(4,4-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 153409995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).