N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

C17H18FN3O2S2 — CID 53131067

IUPACN-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C17H18FN3O2S2/c1-3-8-21-16(6-7-19-21)13-10-17(24-11-13)25(22,23)20-15-5-4-14(18)9-12(15)2/h4-7,9-11,20H,3,8H2,1-2H3
InChIKeyDLMFJIPXAHOGGY-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.27
Rot. Bonds6

About N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide

N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 53131067) has the molecular formula C17H18FN3O2S2 and a molecular weight of 379.48 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID53131067
Molecular FormulaC17H18FN3O2S2
Molecular Weight379.48 g/mol
Exact Mass379.08
IUPAC NameN-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(F)cc2C)c1
InChIInChI=1S/C17H18FN3O2S2/c1-3-8-21-16(6-7-19-21)13-10-17(24-11-13)25(22,23)20-15-5-4-14(18)9-12(15)2/h4-7,9-11,20H,3,8H2,1-2H3
InChIKeyDLMFJIPXAHOGGY-UHFFFAOYSA-N
XLogP4.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131082
N-[(4-chlorophenyl)methyl]-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53131046
N-(3,4-dimethoxyphenyl)-4-(2-ethylpyrazol-3-yl)thiophene-2-sulfonamide
CID 53130952
N-(4-fluoro-2-methylphenyl)-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 53075152
N-(4-fluoro-2-methylphenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 22203197
methyl 3-fluoro-5-(2-propylpyrazol-3-yl)benzoate
CID 103186431
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(4-chloro-2-methylphenyl)-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 53042813
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613
ethyl 4-[(4-fluoro-2-methylphenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927335
N-(4-fluoro-2-methylphenyl)-2-methyl-5-(1,2-oxazol-5-yl)furan-3-sulfonamide
CID 46292577

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide (CID 53131067) is N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is CCCn1nccc1-c1csc(S(=O)(=O)Nc2ccc(F)cc2C)c1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is DLMFJIPXAHOGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2S2/c1-3-8-21-16(6-7-19-21)13-10-17(24-11-13)25(22,23)20-15-5-4-14(18)9-12(15)2/h4-7,9-11,20H,3,8H2,1-2H3.
What are the key properties of N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide?
N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 379.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-4-(2-propylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53131067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).