5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

C13H8ClF2N3O2S2 — CID 167889278

IUPAC5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClF2N3O2S2/c14-11-1-2-13(22-11)23(20,21)19-12-6-10(17-18-12)7-3-8(15)5-9(16)4-7/h1-6H,(H2,17,18,19)
InChIKeyZKVCMHJUZSOHKB-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.87
Rot. Bonds4

About 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide

5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (PubChem CID 167889278) has the molecular formula C13H8ClF2N3O2S2 and a molecular weight of 375.81 g/mol. Its IUPAC name is 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
PubChem CID167889278
Molecular FormulaC13H8ClF2N3O2S2
Molecular Weight375.81 g/mol
Exact Mass374.97
IUPAC Name5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(Cl)s1
InChIInChI=1S/C13H8ClF2N3O2S2/c14-11-1-2-13(22-11)23(20,21)19-12-6-10(17-18-12)7-3-8(15)5-9(16)4-7/h1-6H,(H2,17,18,19)
InChIKeyZKVCMHJUZSOHKB-UHFFFAOYSA-N
XLogP3.87
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide (CID 167889278) is 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cc(-c2cc(F)cc(F)c2)[nH]n1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is ZKVCMHJUZSOHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3O2S2/c14-11-1-2-13(22-11)23(20,21)19-12-6-10(17-18-12)7-3-8(15)5-9(16)4-7/h1-6H,(H2,17,18,19).
What are the key properties of 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide?
5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 375.81 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 167889278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).