4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide

C14H12BrF2NO3S — CID 29350986

IUPAC4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF2NO3S/c15-11-3-7-13(8-4-11)22(19,20)18-9-10-1-5-12(6-2-10)21-14(16)17/h1-8,14,18H,9H2
InChIKeyOWJHXKOANGZSMW-UHFFFAOYSA-N
MW392.22 g/mol
LogP3.53
Rot. Bonds6

About 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide

4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide (PubChem CID 29350986) has the molecular formula C14H12BrF2NO3S and a molecular weight of 392.22 g/mol. Its IUPAC name is 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
PubChem CID29350986
Molecular FormulaC14H12BrF2NO3S
Molecular Weight392.22 g/mol
Exact Mass390.97
IUPAC Name4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrF2NO3S/c15-11-3-7-13(8-4-11)22(19,20)18-9-10-1-5-12(6-2-10)21-14(16)17/h1-8,14,18H,9H2
InChIKeyOWJHXKOANGZSMW-UHFFFAOYSA-N
XLogP3.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethoxy)phenyl]methyl]pyridine-3-sulfonamide
CID 3823851
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232098
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
4-[(4-bromophenyl)methylsulfamoyl]benzoic acid
CID 60725668
4-bromo-N-[(4-methylsulfanylphenyl)methyl]benzenesulfonamide
CID 3348054
4-bromo-N-[(E)-[4-(difluoromethoxy)phenyl]methylideneamino]benzenesulfonamide
CID 6901556
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110780913
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
N-[[4-(difluoromethoxy)phenyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 39794775
1-[(diethylsulfamoylamino)methyl]-4-(difluoromethoxy)benzene
CID 31076489
4-bromo-N-[1-[4-(difluoromethoxy)phenyl]ethylideneamino]benzenesulfonamide
CID 3885165

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide (CID 29350986) is 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(OC(F)F)cc1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide?
The InChIKey is OWJHXKOANGZSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2NO3S/c15-11-3-7-13(8-4-11)22(19,20)18-9-10-1-5-12(6-2-10)21-14(16)17/h1-8,14,18H,9H2.
What are the key properties of 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide?
4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide has a molecular weight of 392.22 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[[4-(difluoromethoxy)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 29350986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).