N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

C14H10BrClF3NO2S — CID 145433892

IUPACN-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO2S/c15-11-4-9(5-12(16)7-11)8-20-23(21,22)13-3-1-2-10(6-13)14(17,18)19/h1-7,20H,8H2
InChIKeyIAMGQQWCTDAVPO-UHFFFAOYSA-N
MW428.66 g/mol
LogP4.60
Rot. Bonds4

About N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide

N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 145433892) has the molecular formula C14H10BrClF3NO2S and a molecular weight of 428.66 g/mol. Its IUPAC name is N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID145433892
Molecular FormulaC14H10BrClF3NO2S
Molecular Weight428.66 g/mol
Exact Mass426.93
IUPAC NameN-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(Cl)cc(Br)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H10BrClF3NO2S/c15-11-4-9(5-12(16)7-11)8-20-23(21,22)13-3-1-2-10(6-13)14(17,18)19/h1-7,20H,8H2
InChIKeyIAMGQQWCTDAVPO-UHFFFAOYSA-N
XLogP4.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.66
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145434130
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
N-[(3-aminophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 75415095
N-[(6-bromo-2-pyridinyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 145433996
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
3-bromo-N-[(4-bromophenyl)methyl]-5-(trifluoromethyl)benzenesulfonamide
CID 98000782
N-[2-[bis[2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethyl]amino]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11029080
methyl 4-[[[3-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzoate
CID 46556509
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 103833984
2-[[3-(trifluoromethyl)phenyl]sulfonylamino]ethanesulfonyl chloride
CID 81358830
3,4-dichloro-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 2805810
N-[(3-chlorocyclobutyl)methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 66004822

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide (CID 145433892) is N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1cc(Cl)cc(Br)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IAMGQQWCTDAVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClF3NO2S/c15-11-4-9(5-12(16)7-11)8-20-23(21,22)13-3-1-2-10(6-13)14(17,18)19/h1-7,20H,8H2.
What are the key properties of N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 428.66 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-chlorophenyl)methyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 145433892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).