N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

C17H18FN3O2S2 — CID 42350500

IUPACN-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C(C)C)nc2-c2cccs2)cc1F
InChIInChI=1S/C17H18FN3O2S2/c1-11(2)21-10-16(17(19-21)15-5-4-8-24-15)25(22,23)20-13-7-6-12(3)14(18)9-13/h4-11,20H,1-3H3
InChIKeyBOOSVBPLBWBVTC-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.44
Rot. Bonds5

About N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide

N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (PubChem CID 42350500) has the molecular formula C17H18FN3O2S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
PubChem CID42350500
Molecular FormulaC17H18FN3O2S2
Molecular Weight379.48 g/mol
Exact Mass379.08
IUPAC NameN-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cn(C(C)C)nc2-c2cccs2)cc1F
InChIInChI=1S/C17H18FN3O2S2/c1-11(2)21-10-16(17(19-21)15-5-4-8-24-15)25(22,23)20-13-7-6-12(3)14(18)9-13/h4-11,20H,1-3H3
InChIKeyBOOSVBPLBWBVTC-UHFFFAOYSA-N
XLogP4.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42351136
N-(4-hydroxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285261
N-(4-anilinophenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285313
N-(1,3-benzodioxol-5-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285285
N-(4-acetylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285268
N-(4-phenoxyphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285273
N-(4-methyl-1,3-benzothiazol-2-yl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42285299
N-butyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350218
N-cyclopropyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350557
N-(2,2-diethoxyethyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350258
N,N-dimethyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350047
N-cyclohexyl-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide
CID 42350287

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide (CID 42350500) is N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cn(C(C)C)nc2-c2cccs2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
The InChIKey is BOOSVBPLBWBVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S2/c1-11(2)21-10-16(17(19-21)15-5-4-8-24-15)25(22,23)20-13-7-6-12(3)14(18)9-13/h4-11,20H,1-3H3.
What are the key properties of N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide?
N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methylphenyl)-1-propan-2-yl-3-thiophen-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 42350500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).