2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide

C11H7Cl2F2NO3S2 — CID 3857117

IUPAC2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2F2NO3S2/c12-9-5-8(10(13)20-9)21(17,18)16-6-1-3-7(4-2-6)19-11(14)15/h1-5,11,16H
InChIKeyRUFALCIGAAZFPJ-UHFFFAOYSA-N
MW374.22 g/mol
LogP4.46
Rot. Bonds5

About 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide (PubChem CID 3857117) has the molecular formula C11H7Cl2F2NO3S2 and a molecular weight of 374.22 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide
PubChem CID3857117
Molecular FormulaC11H7Cl2F2NO3S2
Molecular Weight374.22 g/mol
Exact Mass372.92
IUPAC Name2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H7Cl2F2NO3S2/c12-9-5-8(10(13)20-9)21(17,18)16-6-1-3-7(4-2-6)19-11(14)15/h1-5,11,16H
InChIKeyRUFALCIGAAZFPJ-UHFFFAOYSA-N
XLogP4.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide (CID 3857117) is 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide?
The InChIKey is RUFALCIGAAZFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F2NO3S2/c12-9-5-8(10(13)20-9)21(17,18)16-6-1-3-7(4-2-6)19-11(14)15/h1-5,11,16H.
What are the key properties of 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide has a molecular weight of 374.22 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-(difluoromethoxy)phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3857117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).