3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

C11H7BrF3NO3S2 — CID 61062711

IUPAC3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1sccc1Br
InChIInChI=1S/C11H7BrF3NO3S2/c12-9-5-6-20-10(9)21(17,18)16-7-1-3-8(4-2-7)19-11(13,14)15/h1-6,16H
InChIKeyDRUBRFFAXJBKAK-UHFFFAOYSA-N
MW402.21 g/mol
LogP4.21
Rot. Bonds4

About 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide

3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 61062711) has the molecular formula C11H7BrF3NO3S2 and a molecular weight of 402.21 g/mol. Its IUPAC name is 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID61062711
Molecular FormulaC11H7BrF3NO3S2
Molecular Weight402.21 g/mol
Exact Mass400.90
IUPAC Name3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1sccc1Br
InChIInChI=1S/C11H7BrF3NO3S2/c12-9-5-6-20-10(9)21(17,18)16-7-1-3-8(4-2-7)19-11(13,14)15/h1-6,16H
InChIKeyDRUBRFFAXJBKAK-UHFFFAOYSA-N
XLogP4.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.21
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 61062711) is 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1sccc1Br.
What is the InChIKey of 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is DRUBRFFAXJBKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrF3NO3S2/c12-9-5-6-20-10(9)21(17,18)16-7-1-3-8(4-2-7)19-11(13,14)15/h1-6,16H.
What are the key properties of 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 402.21 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 61062711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).