4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide

C14H10BrF2N3O2S2 — CID 15293124

IUPAC4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)s2)cc1
InChIInChI=1S/C14H10BrF2N3O2S2/c15-13-6-5-12(23-13)11-7-10(14(16)17)19-20(11)8-1-3-9(4-2-8)24(18,21)22/h1-7,14H,(H2,18,21,22)
InChIKeyKYBUMQDQYCMTQQ-UHFFFAOYSA-N
MW434.29 g/mol
LogP3.95
Rot. Bonds4

About 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 15293124) has the molecular formula C14H10BrF2N3O2S2 and a molecular weight of 434.29 g/mol. Its IUPAC name is 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID15293124
Molecular FormulaC14H10BrF2N3O2S2
Molecular Weight434.29 g/mol
Exact Mass432.94
IUPAC Name4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)s2)cc1
InChIInChI=1S/C14H10BrF2N3O2S2/c15-13-6-5-12(23-13)11-7-10(14(16)17)19-20(11)8-1-3-9(4-2-8)24(18,21)22/h1-7,14H,(H2,18,21,22)
InChIKeyKYBUMQDQYCMTQQ-UHFFFAOYSA-N
XLogP3.95
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.29
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide (CID 15293124) is 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)F)cc2-c2ccc(Br)s2)cc1.
What is the InChIKey of 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is KYBUMQDQYCMTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF2N3O2S2/c15-13-6-5-12(23-13)11-7-10(14(16)17)19-20(11)8-1-3-9(4-2-8)24(18,21)22/h1-7,14H,(H2,18,21,22).
What are the key properties of 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 434.29 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-bromothiophen-2-yl)-3-(difluoromethyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 15293124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).