4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide

C14H19BrClNO2S — CID 79872495

IUPAC4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO2S/c1-14(2)8-4-3-5-13(14)17-20(18,19)12-7-6-10(15)9-11(12)16/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyMCIWAQZAYVQADB-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.35
Rot. Bonds3

About 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide

4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide (PubChem CID 79872495) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
PubChem CID79872495
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
SMILESCC1(C)CCCCC1NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C14H19BrClNO2S/c1-14(2)8-4-3-5-13(14)17-20(18,19)12-7-6-10(15)9-11(12)16/h6-7,9,13,17H,3-5,8H2,1-2H3
InChIKeyMCIWAQZAYVQADB-UHFFFAOYSA-N
XLogP4.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide
CID 79861627
2,5-dibromo-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79872231
4-bromo-2-chloro-N-(2-methylcyclohexyl)benzenesulfonamide
CID 60640100
4-bromo-2-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631524
5-bromo-4-chloro-N-(2,2-dimethylcyclohexyl)thiophene-2-sulfonamide
CID 80580128
N-[(5-bromo-2-chlorophenyl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 114076581
2-amino-N-(2,2-dimethylcyclopentyl)-4-methylbenzenesulfonamide
CID 79861056
5,6-dichloro-N-(2,2-dimethylcyclohexyl)pyridine-3-sulfonamide
CID 79871007
4-bromo-2-chloro-N-cyclopent-3-en-1-ylbenzenesulfonamide
CID 115695674
4-bromo-2-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 46406690
2-amino-N-(2,2-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 79861785
N-(azetidin-3-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 66186086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide (CID 79872495) is 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide is CC1(C)CCCCC1NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
The InChIKey is MCIWAQZAYVQADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-14(2)8-4-3-5-13(14)17-20(18,19)12-7-6-10(15)9-11(12)16/h6-7,9,13,17H,3-5,8H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide?
4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide has a molecular weight of 380.74 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(2,2-dimethylcyclohexyl)benzenesulfonamide is sourced from PubChem (CID 79872495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).