4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide

C10H9F4N3O2S2 — CID 167904077

IUPAC4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cscc2C(F)F)c(C(F)F)n1
InChIInChI=1S/C10H9F4N3O2S2/c1-17-2-6(8(15-17)10(13)14)16-21(18,19)7-4-20-3-5(7)9(11)12/h2-4,9-10,16H,1H3
InChIKeyIWCHFIXTYSSAFL-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.16
Rot. Bonds5

About 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide

4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide (PubChem CID 167904077) has the molecular formula C10H9F4N3O2S2 and a molecular weight of 343.33 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide
PubChem CID167904077
Molecular FormulaC10H9F4N3O2S2
Molecular Weight343.33 g/mol
Exact Mass343.01
IUPAC Name4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide
SMILESCn1cc(NS(=O)(=O)c2cscc2C(F)F)c(C(F)F)n1
InChIInChI=1S/C10H9F4N3O2S2/c1-17-2-6(8(15-17)10(13)14)16-21(18,19)7-4-20-3-5(7)9(11)12/h2-4,9-10,16H,1H3
InChIKeyIWCHFIXTYSSAFL-UHFFFAOYSA-N
XLogP3.16
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide?
The IUPAC name of 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide (CID 167904077) is 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide.
What is the SMILES notation for 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide?
The canonical SMILES for 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide is Cn1cc(NS(=O)(=O)c2cscc2C(F)F)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide?
The InChIKey is IWCHFIXTYSSAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4N3O2S2/c1-17-2-6(8(15-17)10(13)14)16-21(18,19)7-4-20-3-5(7)9(11)12/h2-4,9-10,16H,1H3.
What are the key properties of 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide?
4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide has a molecular weight of 343.33 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide is sourced from PubChem (CID 167904077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).