N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C14H11BrF3NO2S — CID 145434130

IUPACN-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11BrF3NO2S/c15-12-5-1-3-10(7-12)9-19-22(20,21)13-6-2-4-11(8-13)14(16,17)18/h1-8,19H,9H2
InChIKeyUTHUWFOTNIXSSS-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.95
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 145434130) has the molecular formula C14H11BrF3NO2S and a molecular weight of 394.21 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID145434130
Molecular FormulaC14H11BrF3NO2S
Molecular Weight394.21 g/mol
Exact Mass392.96
IUPAC NameN-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11BrF3NO2S/c15-12-5-1-3-10(7-12)9-19-22(20,21)13-6-2-4-11(8-13)14(16,17)18/h1-8,19H,9H2
InChIKeyUTHUWFOTNIXSSS-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433892
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
3-[(3-bromophenyl)methylsulfamoyl]benzoic acid
CID 61401315
N-[(3-bromophenyl)methyl]-1,1,1-trifluoromethanesulfonamide
CID 66604294
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
3-acetyl-N-[(3-bromophenyl)methyl]benzenesulfonamide
CID 61410420
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 55914407
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 145434130) is N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cccc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UTHUWFOTNIXSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF3NO2S/c15-12-5-1-3-10(7-12)9-19-22(20,21)13-6-2-4-11(8-13)14(16,17)18/h1-8,19H,9H2.
What are the key properties of N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 394.21 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 145434130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).