4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide

C15H21BrClNO2S — CID 63420302

IUPAC4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H21BrClNO2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-9-6-12(16)10-14(15)17/h6,9-11,13H,3-5,7-8H2,1-2H3
InChIKeyHDDWKYAKEUZQKI-UHFFFAOYSA-N
MW394.76 g/mol
LogP4.69
Rot. Bonds4

About 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide

4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (PubChem CID 63420302) has the molecular formula C15H21BrClNO2S and a molecular weight of 394.76 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
PubChem CID63420302
Molecular FormulaC15H21BrClNO2S
Molecular Weight394.76 g/mol
Exact Mass393.02
IUPAC Name4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C15H21BrClNO2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-9-6-12(16)10-14(15)17/h6,9-11,13H,3-5,7-8H2,1-2H3
InChIKeyHDDWKYAKEUZQKI-UHFFFAOYSA-N
XLogP4.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.76
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-chloro-N-cyclopentyl-N-cyclopropylbenzenesulfonamide
CID 32009990
4-bromo-2,6-dichloro-N-methyl-N-[(2S)-3-methylbutan-2-yl]benzenesulfonamide
CID 93302282
4-bromo-2-chloro-N-[(3-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 8321407
4-bromo-2-chloro-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 8322654
4-bromo-2-chloro-N-[(4-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 8351092
4-bromo-2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 25665593
4-bromo-2-chloro-N-[3-(trifluoromethyl)cyclohexyl]benzenesulfonamide
CID 55529803
1-(4-Bromo-2-chlorophenyl)sulfonyl-3-(trifluoromethyl)piperidine
CID 60639323
1-(4-Bromo-2-chlorophenyl)sulfonyl-4-(trifluoromethyl)piperidine
CID 65532631
4-bromo-N-(4-ethylcyclohexyl)-3-fluoro-N-methylbenzenesulfonamide
CID 107650240
4-bromo-N-(4-ethylcyclohexyl)-2-fluoro-N-methylbenzenesulfonamide
CID 116528439
4-bromo-2-chloro-N-cyclohexyl-N-methylbenzenesulfonamide
CID 2439979

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide (CID 63420302) is 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is CCC1CCC(N(C)S(=O)(=O)c2ccc(Br)cc2Cl)CC1.
What is the InChIKey of 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
The InChIKey is HDDWKYAKEUZQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2S/c1-3-11-4-7-13(8-5-11)18(2)21(19,20)15-9-6-12(16)10-14(15)17/h6,9-11,13H,3-5,7-8H2,1-2H3.
What are the key properties of 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide?
4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide has a molecular weight of 394.76 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-chloro-N-(4-ethylcyclohexyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 63420302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).