N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

C15H15N3O2S2 — CID 53083829

IUPACN-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C15H15N3O2S2/c1-10-7-11(2)9-12(8-10)18-22(19,20)15-4-3-14(21-15)13-5-6-16-17-13/h3-9,18H,1-2H3,(H,16,17)
InChIKeyUFFCNCRDCGZREO-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.56
Rot. Bonds4

About N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide

N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (PubChem CID 53083829) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
PubChem CID53083829
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2ccc(-c3ccn[nH]3)s2)c1
InChIInChI=1S/C15H15N3O2S2/c1-10-7-11(2)9-12(8-10)18-22(19,20)15-4-3-14(21-15)13-5-6-16-17-13/h3-9,18H,1-2H3,(H,16,17)
InChIKeyUFFCNCRDCGZREO-UHFFFAOYSA-N
XLogP3.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-pyrazol-5-yl)thiophene-2-sulfonyl chloride
CID 2736710
5-ethyl-N-[4-(1H-pyrazol-5-yl)phenyl]thiophene-2-sulfonamide
CID 110732438
5-amino-N-(3,5-dimethylphenyl)-1H-pyrazole-4-sulfonamide
CID 60815176
5-chloro-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 103100304
N-(3,4-dimethoxyphenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947510
5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-N-(2,4,6-trimethylphenyl)thiophene-2-sulfonamide
CID 53083755
2-chloro-N-[4-(1H-pyrazol-5-yl)phenyl]-1,3-thiazole-5-sulfonamide
CID 61047553
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
5-(2-methyl-1,3-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 53102851
5-bromo-4-methyl-N-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 79989224
N-(3-chloro-4-fluorophenyl)-5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
CID 20947584

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide (CID 53083829) is N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2ccc(-c3ccn[nH]3)s2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
The InChIKey is UFFCNCRDCGZREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-10-7-11(2)9-12(8-10)18-22(19,20)15-4-3-14(21-15)13-5-6-16-17-13/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide?
N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-5-(1H-pyrazol-5-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 53083829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).