5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide

C12H10BrF2NO3S2 — CID 79913064

IUPAC5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)sc1Br
InChIInChI=1S/C12H10BrF2NO3S2/c1-7-6-10(20-11(7)13)21(17,18)16-8-2-4-9(5-3-8)19-12(14)15/h2-6,12,16H,1H3
InChIKeyXJUJGWNOCCPQGB-UHFFFAOYSA-N
MW398.25 g/mol
LogP4.22
Rot. Bonds5

About 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide

5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide (PubChem CID 79913064) has the molecular formula C12H10BrF2NO3S2 and a molecular weight of 398.25 g/mol. Its IUPAC name is 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide
PubChem CID79913064
Molecular FormulaC12H10BrF2NO3S2
Molecular Weight398.25 g/mol
Exact Mass396.93
IUPAC Name5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)sc1Br
InChIInChI=1S/C12H10BrF2NO3S2/c1-7-6-10(20-11(7)13)21(17,18)16-8-2-4-9(5-3-8)19-12(14)15/h2-6,12,16H,1H3
InChIKeyXJUJGWNOCCPQGB-UHFFFAOYSA-N
XLogP4.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.25
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide (CID 79913064) is 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)sc1Br.
What is the InChIKey of 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide?
The InChIKey is XJUJGWNOCCPQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2NO3S2/c1-7-6-10(20-11(7)13)21(17,18)16-8-2-4-9(5-3-8)19-12(14)15/h2-6,12,16H,1H3.
What are the key properties of 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide?
5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide has a molecular weight of 398.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(difluoromethoxy)phenyl]-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 79913064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).