3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

C14H19BrClNO2S — CID 106612261

IUPAC3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H19BrClNO2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)12-6-7-14(16)13(15)8-12/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyHTNKLUSLMURTPQ-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.21
Rot. Bonds4

About 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide

3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (PubChem CID 106612261) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
PubChem CID106612261
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
SMILESCC1CCC(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1
InChIInChI=1S/C14H19BrClNO2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)12-6-7-14(16)13(15)8-12/h6-8,10-11,17H,2-5,9H2,1H3
InChIKeyHTNKLUSLMURTPQ-UHFFFAOYSA-N
XLogP4.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 106611017
3-bromo-N-(cyclopropylmethyl)-4-fluorobenzenesulfonamide
CID 163393416
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
3-bromo-4-chloro-N-[(2-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 106546349
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635
3-amino-4-bromo-N-[(4-ethylcyclohexyl)methyl]benzenesulfonamide
CID 115328868
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
4-(bromomethyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414936
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-bromo-4-chlorobenzenesulfonamide
CID 106610930
5-(aminomethyl)-2-bromo-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 106062370
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide (CID 106612261) is 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is CC1CCC(CNS(=O)(=O)c2ccc(Cl)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
The InChIKey is HTNKLUSLMURTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-10-2-4-11(5-3-10)9-17-20(18,19)12-6-7-14(16)13(15)8-12/h6-8,10-11,17H,2-5,9H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide?
3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide has a molecular weight of 380.74 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106612261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).