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

C15H13ClFN3O2S2 — CID 20947584

IUPACN-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)c1C
InChIInChI=1S/C15H13ClFN3O2S2/c1-8-9(2)18-19-15(8)13-5-6-14(23-13)24(21,22)20-10-3-4-12(17)11(16)7-10/h3-7,20H,1-2H3,(H,18,19)
InChIKeyYXMKVRWAWQAKHK-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.35
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 20947584) has the molecular formula C15H13ClFN3O2S2 and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID20947584
Molecular FormulaC15H13ClFN3O2S2
Molecular Weight385.87 g/mol
Exact Mass385.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)c1C
InChIInChI=1S/C15H13ClFN3O2S2/c1-8-9(2)18-19-15(8)13-5-6-14(23-13)24(21,22)20-10-3-4-12(17)11(16)7-10/h3-7,20H,1-2H3,(H,18,19)
InChIKeyYXMKVRWAWQAKHK-UHFFFAOYSA-N
XLogP4.35
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(3-fluorophenyl)thiophene-2-sulfonamide
CID 20947535
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
N-(3-chloro-4-fluorophenyl)-5-methylthiophene-2-sulfonamide
CID 18191076
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(4-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 20947589
N-(3-chloro-4-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 2683530
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-(2-methylphenyl)thiophene-2-sulfonamide
CID 20947550
N-(3-chloro-4-fluorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54930110
N-(3-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106267208
N-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068175
N-(3-chloro-4-methoxyphenyl)-4-(4,5-dimethyl-1H-pyrazol-3-yl)-2,5-dimethylthiophene-3-sulfonamide
CID 50842686
N-(3-chloro-4-methoxyphenyl)-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20923062
N-(4-chlorophenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936180

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 20947584) is N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)s2)c1C.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is YXMKVRWAWQAKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O2S2/c1-8-9(2)18-19-15(8)13-5-6-14(23-13)24(21,22)20-10-3-4-12(17)11(16)7-10/h3-7,20H,1-2H3,(H,18,19).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 385.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20947584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).