N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C15H13F2N3O2S2 — CID 20947525

IUPACN-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)c1C
InChIInChI=1S/C15H13F2N3O2S2/c1-8-9(2)18-19-15(8)13-5-6-14(23-13)24(21,22)20-12-4-3-10(16)7-11(12)17/h3-7,20H,1-2H3,(H,18,19)
InChIKeyIBSFOHHTGSPYGI-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.83
Rot. Bonds4

About N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947525) has the molecular formula C15H13F2N3O2S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947525
Molecular FormulaC15H13F2N3O2S2
Molecular Weight369.42 g/mol
Exact Mass369.04
IUPAC NameN-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)c1C
InChIInChI=1S/C15H13F2N3O2S2/c1-8-9(2)18-19-15(8)13-5-6-14(23-13)24(21,22)20-12-4-3-10(16)7-11(12)17/h3-7,20H,1-2H3,(H,18,19)
InChIKeyIBSFOHHTGSPYGI-UHFFFAOYSA-N
XLogP3.83
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947525) is N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3F)s2)c1C.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is IBSFOHHTGSPYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O2S2/c1-8-9(2)18-19-15(8)13-5-6-14(23-13)24(21,22)20-12-4-3-10(16)7-11(12)17/h3-7,20H,1-2H3,(H,18,19).
What are the key properties of N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 369.42 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).