5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide

C12H8BrF3N2O3S — CID 168963608

IUPAC5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C12H8BrF3N2O3S/c13-8-1-6-11(17-7-8)22(19,20)18-9-2-4-10(5-3-9)21-12(14,15)16/h1-7,18H
InChIKeyBNOUDILJDOITPV-UHFFFAOYSA-N
MW397.17 g/mol
LogP3.54
Rot. Bonds4

About 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide

5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide (PubChem CID 168963608) has the molecular formula C12H8BrF3N2O3S and a molecular weight of 397.17 g/mol. Its IUPAC name is 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide
PubChem CID168963608
Molecular FormulaC12H8BrF3N2O3S
Molecular Weight397.17 g/mol
Exact Mass395.94
IUPAC Name5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C12H8BrF3N2O3S/c13-8-1-6-11(17-7-8)22(19,20)18-9-2-4-10(5-3-9)21-12(14,15)16/h1-7,18H
InChIKeyBNOUDILJDOITPV-UHFFFAOYSA-N
XLogP3.54
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 839345
N-[3-(4-bromophenoxy)-4-pyridinyl]trifluoromethanesulfonamide
CID 11749849
3-Bromo-4-methoxy-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 1092313
5-bromo-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 1115771
2,4-difluoro-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2414064
N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 2738794
4-fluoro-3-methoxy-N-4-pyridinylbenzenesulfonamide
CID 934705
4-bromo-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2078535
5-bromo-2-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 2422383
N-[(pyridin-2-yl)methyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
CID 17154265
4-fluoro-3-methoxy-N-3-pyridinylbenzenesulfonamide
CID 934908
(1E)-1-pyridin-2-ylsulfonyl-N-[4-(trifluoromethoxy)anilino]methanimidoyl cyanide
CID 155553949

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide (CID 168963608) is 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide?
The InChIKey is BNOUDILJDOITPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrF3N2O3S/c13-8-1-6-11(17-7-8)22(19,20)18-9-2-4-10(5-3-9)21-12(14,15)16/h1-7,18H.
What are the key properties of 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide?
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide has a molecular weight of 397.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(trifluoromethoxy)phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 168963608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).