N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide

C9H11BrClNO2S — CID 71974147

IUPACN-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(Br)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C9H11BrClNO2S/c1-3-12(15(2,13)14)9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3
InChIKeyWWAAMHFPJPQVPJ-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.89
Rot. Bonds3

About N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide

N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide (PubChem CID 71974147) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide
PubChem CID71974147
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide
SMILESCCN(c1ccc(Br)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C9H11BrClNO2S/c1-3-12(15(2,13)14)9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3
InChIKeyWWAAMHFPJPQVPJ-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

n-(2-Chlorophenyl)-n-methylmethanesulfonamide
CID 292306
N-(4-bromo-2-chlorophenyl)methanesulfonamide
CID 22774632
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CID 43236856
1-(4-Bromo-2-chlorophenyl)piperidine
CID 84713950
N-(4-bromo-2-chlorophenyl)ethanesulfonamide
CID 17374358
2-(4-bromo-2-chloro-N-methylsulfonylanilino)ethyl N,N-dimethylcarbamate
CID 75510661
N-(4-bromo-2-chlorophenyl)-N-[(2-fluorophenyl)methyl]methanesulfonamide
CID 72101812
2-(2-Bromo-6-chloro-4-fluorophenyl)thiazinane 1,1-dioxide
CID 107612916
2-(2-Bromo-6-chloro-4-fluorophenyl)-1,2-thiazolidine 1,1-dioxide
CID 107612931
2-(2-Bromo-6-chloro-4-fluorophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
CID 107612944
4-bromo-2-chloro-N-(2-fluoroethyl)-N-methylaniline
CID 130735261
(E)-N-(4-bromo-2-chlorophenyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 51125459

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide (CID 71974147) is N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide is CCN(c1ccc(Br)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide?
The InChIKey is WWAAMHFPJPQVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-3-12(15(2,13)14)9-5-4-7(10)6-8(9)11/h4-6H,3H2,1-2H3.
What are the key properties of N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide?
N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-N-ethylmethanesulfonamide is sourced from PubChem (CID 71974147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).