5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

C15H15N3O2S2 — CID 31111062

IUPAC5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C15H15N3O2S2/c1-12-7-8-15(21-12)22(19,20)17-10-13-9-16-18(11-13)14-5-3-2-4-6-14/h2-9,11,17H,10H2,1H3
InChIKeyLRGWZUSYFZFUMP-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.72
Rot. Bonds5

About 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (PubChem CID 31111062) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
PubChem CID31111062
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C15H15N3O2S2/c1-12-7-8-15(21-12)22(19,20)17-10-13-9-16-18(11-13)14-5-3-2-4-6-14/h2-9,11,17H,10H2,1H3
InChIKeyLRGWZUSYFZFUMP-UHFFFAOYSA-N
XLogP2.72
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 78889870
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
5-bromo-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 18148720
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
2,3,4-trifluoro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 31841722
N-[(1-phenylpyrazol-4-yl)methyl]azepane-1-sulfonamide
CID 16616688
N-[(1-phenylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 134017774
2-methyl-1-[(5-methylthiophen-2-yl)methyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111898501
2,3,4,5,6-pentamethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 18269364
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
4-methoxy-3-nitro-N-[(1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 16962865
2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isoquinoline-5-sulfonamide
CID 166251466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide (CID 31111062) is 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is LRGWZUSYFZFUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-12-7-8-15(21-12)22(19,20)17-10-13-9-16-18(11-13)14-5-3-2-4-6-14/h2-9,11,17H,10H2,1H3.
What are the key properties of 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 31111062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).