N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide

C7H6BrClFNO2S — CID 68536086

IUPACN-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(F)cc1Br
InChIInChI=1S/C7H6BrClFNO2S/c1-14(12,13)11-7-3-5(9)6(10)2-4(7)8/h2-3,11H,1H3
InChIKeyRQKLJKTWDHGSRN-UHFFFAOYSA-N
MW302.55 g/mol
LogP2.61
Rot. Bonds2

About N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide

N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide (PubChem CID 68536086) has the molecular formula C7H6BrClFNO2S and a molecular weight of 302.55 g/mol. Its IUPAC name is N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide
PubChem CID68536086
Molecular FormulaC7H6BrClFNO2S
Molecular Weight302.55 g/mol
Exact Mass300.90
IUPAC NameN-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(Cl)c(F)cc1Br
InChIInChI=1S/C7H6BrClFNO2S/c1-14(12,13)11-7-3-5(9)6(10)2-4(7)8/h2-3,11H,1H3
InChIKeyRQKLJKTWDHGSRN-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.55
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-chlorophenyl)methanesulfonamide
CID 67639516
(2S)-N-(2-bromo-5-chlorophenyl)-2-methoxypropane-1-sulfonamide
CID 164634346
N-(3-chloro-4-fluorophenyl)methanesulfonamide
CID 798933
2-Bromo-5-chloro-4-fluorobenzenamine
CID 11424638
N-(2-bromo-4-fluorophenyl)methanesulfonamide
CID 17937436
N-(3-chloro-2-fluorophenyl)methanesulfonamide
CID 23160310
N-(5-chloro-2-fluorophenyl)methanesulfonamide
CID 60640583
N-(2-bromo-3-fluorophenyl)methanesulfonamide
CID 67638843
N-(3-bromo-5-chloro-2-fluorophenyl)propane-1-sulfonamide
CID 69810002
6-Bromo-3-chloro-2-fluoroaniline
CID 83409858
N-(2-bromo-4-chloro-6-fluorophenyl)methanesulfonamide
CID 89773707
N-(2-bromo-6-chloro-4-fluorophenyl)methanesulfonamide
CID 89775133

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide (CID 68536086) is N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(Cl)c(F)cc1Br.
What is the InChIKey of N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide?
The InChIKey is RQKLJKTWDHGSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClFNO2S/c1-14(12,13)11-7-3-5(9)6(10)2-4(7)8/h2-3,11H,1H3.
What are the key properties of N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide?
N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide has a molecular weight of 302.55 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chloro-4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 68536086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).