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

C12H9Cl2F2NO4S2 — CID 36514574

IUPAC2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1OC(F)F
InChIInChI=1S/C12H9Cl2F2NO4S2/c1-20-7-3-2-6(4-8(7)21-12(15)16)17-23(18,19)9-5-10(13)22-11(9)14/h2-5,12,17H,1H3
InChIKeyKGBFEOHXIPTNPH-UHFFFAOYSA-N
MW404.24 g/mol
LogP4.47
Rot. Bonds6

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

2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide (PubChem CID 36514574) has the molecular formula C12H9Cl2F2NO4S2 and a molecular weight of 404.24 g/mol. Its IUPAC name is 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide
PubChem CID36514574
Molecular FormulaC12H9Cl2F2NO4S2
Molecular Weight404.24 g/mol
Exact Mass402.93
IUPAC Name2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1OC(F)F
InChIInChI=1S/C12H9Cl2F2NO4S2/c1-20-7-3-2-6(4-8(7)21-12(15)16)17-23(18,19)9-5-10(13)22-11(9)14/h2-5,12,17H,1H3
InChIKeyKGBFEOHXIPTNPH-UHFFFAOYSA-N
XLogP4.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.24
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide (CID 36514574) is 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide is COc1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1OC(F)F.
What is the InChIKey of 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide?
The InChIKey is KGBFEOHXIPTNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F2NO4S2/c1-20-7-3-2-6(4-8(7)21-12(15)16)17-23(18,19)9-5-10(13)22-11(9)14/h2-5,12,17H,1H3.
What are the key properties of 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide has a molecular weight of 404.24 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[3-(difluoromethoxy)-4-methoxyphenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 36514574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).