5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide

C12H10ClF2NO3S2 — CID 17374408

IUPAC5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
SMILESCc1cc(OC(F)F)ccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClF2NO3S2/c1-7-6-8(19-12(14)15)2-3-9(7)16-21(17,18)11-5-4-10(13)20-11/h2-6,12,16H,1H3
InChIKeyDVLAFGPYLSVMMF-UHFFFAOYSA-N
MW353.80 g/mol
LogP4.11
Rot. Bonds5

About 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide (PubChem CID 17374408) has the molecular formula C12H10ClF2NO3S2 and a molecular weight of 353.80 g/mol. Its IUPAC name is 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
PubChem CID17374408
Molecular FormulaC12H10ClF2NO3S2
Molecular Weight353.80 g/mol
Exact Mass352.98
IUPAC Name5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide
SMILESCc1cc(OC(F)F)ccc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H10ClF2NO3S2/c1-7-6-8(19-12(14)15)2-3-9(7)16-21(17,18)11-5-4-10(13)20-11/h2-6,12,16H,1H3
InChIKeyDVLAFGPYLSVMMF-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide (CID 17374408) is 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide is Cc1cc(OC(F)F)ccc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
The InChIKey is DVLAFGPYLSVMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO3S2/c1-7-6-8(19-12(14)15)2-3-9(7)16-21(17,18)11-5-4-10(13)20-11/h2-6,12,16H,1H3.
What are the key properties of 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide has a molecular weight of 353.80 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(difluoromethoxy)-2-methylphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 17374408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).