4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide

C14H12BrF2NO3S — CID 8504785

IUPAC4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1Br
InChIInChI=1S/C14H12BrF2NO3S/c1-9-8-10(6-7-11(9)15)22(19,20)18-12-4-2-3-5-13(12)21-14(16)17/h2-8,14,18H,1H3
InChIKeyXWVJMCJNGFAIEC-UHFFFAOYSA-N
MW392.22 g/mol
LogP4.16
Rot. Bonds5

About 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide

4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide (PubChem CID 8504785) has the molecular formula C14H12BrF2NO3S and a molecular weight of 392.22 g/mol. Its IUPAC name is 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
PubChem CID8504785
Molecular FormulaC14H12BrF2NO3S
Molecular Weight392.22 g/mol
Exact Mass390.97
IUPAC Name4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1Br
InChIInChI=1S/C14H12BrF2NO3S/c1-9-8-10(6-7-11(9)15)22(19,20)18-12-4-2-3-5-13(12)21-14(16)17/h2-8,14,18H,1H3
InChIKeyXWVJMCJNGFAIEC-UHFFFAOYSA-N
XLogP4.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(difluoromethoxy)phenyl]-4-fluorobenzenesulfonamide
CID 7950025
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
3-[2-[(4-bromo-3-methylphenyl)sulfonylamino]phenoxy]propanamide
CID 55768562
4-bromo-N-[2-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 60723660
4-bromo-N-(2,4-dibromophenyl)-3-methylbenzenesulfonamide
CID 60640730
4-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzenesulfonamide
CID 60534380
5-tert-butyl-N-[2-(difluoromethoxy)phenyl]-2-methylbenzenesulfonamide
CID 7940917
4-chloro-N-[2-(difluoromethoxy)phenyl]-2,5-dimethylbenzenesulfonamide
CID 22206102
5-bromo-N-[2-(difluoromethoxy)phenyl]-2-methoxybenzenesulfonamide
CID 8504794
4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 5212031
4-fluoro-N-(2-propan-2-yloxyphenyl)benzenesulfonamide
CID 53277912
N-[2-(difluoromethoxy)phenyl]-2-fluoro-5-methylbenzenesulfonamide
CID 60532633

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide (CID 8504785) is 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2OC(F)F)ccc1Br.
What is the InChIKey of 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide?
The InChIKey is XWVJMCJNGFAIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO3S/c1-9-8-10(6-7-11(9)15)22(19,20)18-12-4-2-3-5-13(12)21-14(16)17/h2-8,14,18H,1H3.
What are the key properties of 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide?
4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide has a molecular weight of 392.22 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(difluoromethoxy)phenyl]-3-methylbenzenesulfonamide is sourced from PubChem (CID 8504785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).