3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide

C14H19BrClNO2S — CID 106612198

IUPAC3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrClNO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3
InChIKeyHKIYRPSYHIMFHO-UHFFFAOYSA-N
MW380.74 g/mol
LogP4.35
Rot. Bonds4

About 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide

3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide (PubChem CID 106612198) has the molecular formula C14H19BrClNO2S and a molecular weight of 380.74 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
PubChem CID106612198
Molecular FormulaC14H19BrClNO2S
Molecular Weight380.74 g/mol
Exact Mass379.00
IUPAC Name3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCCCC1
InChIInChI=1S/C14H19BrClNO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3
InChIKeyHKIYRPSYHIMFHO-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
4-bromo-N-(1-cyclopentylethyl)-3-fluorobenzenesulfonamide
CID 103697627
3-bromo-4-chloro-N-propan-2-ylbenzenesulfonamide
CID 106545028
3-(aminomethyl)-4-chloro-N-(1-cyclopentylethyl)benzenesulfonamide
CID 106066129
3-chloro-N-(1-cyclohexylethyl)-4-nitrobenzenesulfonamide
CID 167339915
2-chloro-4-(1-cyclopentylethylsulfamoyl)benzoic acid
CID 107090108
4-amino-N-(1-cyclohexylethyl)-3-methoxybenzenesulfonamide
CID 81440565
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
N-(1-cyclohexylethyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422097
5,6-dichloro-N-(1-cyclohexylethyl)pyridine-3-sulfonamide
CID 64608609
3-amino-N-(1-cyclohexylethyl)benzenesulfonamide
CID 62406253
4-bromo-N-[(1R)-1-cyclopropylethyl]benzenesulfonamide
CID 8816866

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide (CID 106612198) is 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)c(Br)c1)C1CCCCC1.
What is the InChIKey of 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide?
The InChIKey is HKIYRPSYHIMFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClNO2S/c1-10(11-5-3-2-4-6-11)17-20(18,19)12-7-8-14(16)13(15)9-12/h7-11,17H,2-6H2,1H3.
What are the key properties of 3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide?
3-bromo-4-chloro-N-(1-cyclohexylethyl)benzenesulfonamide has a molecular weight of 380.74 g/mol, XLogP of 4.35, 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-(1-cyclohexylethyl)benzenesulfonamide is sourced from PubChem (CID 106612198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).