5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide

C12H10ClF2NO4S2 — CID 36514090

IUPAC5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC(F)F
InChIInChI=1S/C12H10ClF2NO4S2/c1-19-8-3-2-7(6-9(8)20-12(14)15)16-22(17,18)11-5-4-10(13)21-11/h2-6,12,16H,1H3
InChIKeyFKJGQRCYNOZMBY-UHFFFAOYSA-N
MW369.80 g/mol
LogP3.81
Rot. Bonds6

About 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide

5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide (PubChem CID 36514090) has the molecular formula C12H10ClF2NO4S2 and a molecular weight of 369.80 g/mol. Its IUPAC name is 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
PubChem CID36514090
Molecular FormulaC12H10ClF2NO4S2
Molecular Weight369.80 g/mol
Exact Mass368.97
IUPAC Name5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC(F)F
InChIInChI=1S/C12H10ClF2NO4S2/c1-19-8-3-2-7(6-9(8)20-12(14)15)16-22(17,18)11-5-4-10(13)21-11/h2-6,12,16H,1H3
InChIKeyFKJGQRCYNOZMBY-UHFFFAOYSA-N
XLogP3.81
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide (CID 36514090) is 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC(F)F.
What is the InChIKey of 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
The InChIKey is FKJGQRCYNOZMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO4S2/c1-19-8-3-2-7(6-9(8)20-12(14)15)16-22(17,18)11-5-4-10(13)21-11/h2-6,12,16H,1H3.
What are the key properties of 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide?
5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide has a molecular weight of 369.80 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 36514090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).