3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide

C13H10BrClFNO3S — CID 4847840

IUPAC3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1Br
InChIInChI=1S/C13H10BrClFNO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-12-4-2-8(15)6-11(12)16/h2-7,17H,1H3
InChIKeyIJFZHOVVURMLMG-UHFFFAOYSA-N
MW394.65 g/mol
LogP4.05
Rot. Bonds4

About 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide

3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide (PubChem CID 4847840) has the molecular formula C13H10BrClFNO3S and a molecular weight of 394.65 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
PubChem CID4847840
Molecular FormulaC13H10BrClFNO3S
Molecular Weight394.65 g/mol
Exact Mass392.92
IUPAC Name3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1Br
InChIInChI=1S/C13H10BrClFNO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-12-4-2-8(15)6-11(12)16/h2-7,17H,1H3
InChIKeyIJFZHOVVURMLMG-UHFFFAOYSA-N
XLogP4.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.65
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-(5-chloro-2-phenoxyphenyl)-4-methoxybenzenesulfonamide
CID 21372759
N-(2,5-dichlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109274
N-(4-chloro-2-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727135
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-N-(2-fluorophenyl)-4-methoxybenzenesulfonamide
CID 974272
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628
N-[5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-fluorophenyl]acetamide
CID 24656740
4-chloro-N-(5-fluoro-2-methoxyphenyl)benzenesulfonamide
CID 110776607
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 7354133
3,4-dimethoxy-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 3855211
4-bromo-N-(4-chloro-2-methylphenyl)-3-fluorobenzenesulfonamide
CID 97161969
3-fluoro-4-methoxy-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 112811750

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide (CID 4847840) is 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1Br.
What is the InChIKey of 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide?
The InChIKey is IJFZHOVVURMLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClFNO3S/c1-20-13-5-3-9(7-10(13)14)21(18,19)17-12-4-2-8(15)6-11(12)16/h2-7,17H,1H3.
What are the key properties of 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide?
3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide has a molecular weight of 394.65 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-2-fluorophenyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 4847840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).