5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

C15H15N3O2S2 — CID 78889870

IUPAC5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccn(-c3ccccc3)n2)s1
InChIInChI=1S/C15H15N3O2S2/c1-12-7-8-15(21-12)22(19,20)16-11-13-9-10-18(17-13)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyBTAHOZFPSCPXQK-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.72
Rot. Bonds5

About 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide

5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (PubChem CID 78889870) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
PubChem CID78889870
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccn(-c3ccccc3)n2)s1
InChIInChI=1S/C15H15N3O2S2/c1-12-7-8-15(21-12)22(19,20)16-11-13-9-10-18(17-13)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3
InChIKeyBTAHOZFPSCPXQK-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-4-yl)methyl]thiophene-2-sulfonamide
CID 31111062
3-chloro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889859
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(1-phenylpyrazol-3-yl)methanamine
CID 103908833
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
5-cyano-N-[(1-methylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 106268817
5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110322583
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
5-methyl-N-(2-phenylpropyl)thiophene-2-sulfonamide
CID 47109865
4-chloro-2-nitro-N-[(1-phenylpyrazol-3-yl)methyl]benzenesulfonamide
CID 78889910
5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389179

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide (CID 78889870) is 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCc2ccn(-c3ccccc3)n2)s1.
What is the InChIKey of 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
The InChIKey is BTAHOZFPSCPXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-12-7-8-15(21-12)22(19,20)16-11-13-9-10-18(17-13)14-5-3-2-4-6-14/h2-10,16H,11H2,1H3.
What are the key properties of 5-methyl-N-[(1-phenylpyrazol-3-yl)methyl]thiophene-2-sulfonamide?
5-methyl-N-[(1-phenylpyrazol-3-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-3-yl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 78889870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).