3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide

C14H19BrClNO2S — CID 106611161

IUPAC3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)12-7-8-14(16)13(15)9-12/h7-9,11H,2-6,10H2,1H3
InChIKeyYAEJQBGEYLNDFE-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.30
Rot. Bonds4

About 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide

3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide (PubChem CID 106611161) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
PubChem CID106611161
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C14H19BrClNO2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)12-7-8-14(16)13(15)9-12/h7-9,11H,2-6,10H2,1H3
InChIKeyYAEJQBGEYLNDFE-UHFFFAOYSA-N
XLogP4.30
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.74
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(cyclopentylmethyl)-N,3-dimethylbenzenesulfonamide
CID 62067489
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
3-chloro-N-(cyclopentylmethyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090781
4-bromo-N-(cyclopropylmethyl)-3-fluoro-N-methylbenzenesulfonamide
CID 103697406
N-(cyclohexylmethyl)-3-hydroxy-N-methylbenzenesulfonamide
CID 81259352
N-(cyclopentylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422155
4-amino-2,6-dichloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 61114490
3-bromo-4-chloro-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 106545645
3-bromo-4-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106012518
2-chloro-N-(cyclobutylmethyl)-N-methylquinoline-6-sulfonamide
CID 62861512
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
CID 36520929
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide (CID 106611161) is 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide is CN(CC1CCCCC1)S(=O)(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
The InChIKey is YAEJQBGEYLNDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-17(10-11-5-3-2-4-6-11)20(18,19)12-7-8-14(16)13(15)9-12/h7-9,11H,2-6,10H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide?
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide has a molecular weight of 380.74 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 106611161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).