1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide

C11H12N6O2S2 — CID 122162236

IUPAC1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cn1
InChIInChI=1S/C11H12N6O2S2/c1-16-7-11(5-12-16)21(18,19)13-4-9-6-17(15-14-9)10-2-3-20-8-10/h2-3,5-8,13H,4H2,1H3
InChIKeyJPFVEOUFTRYFBF-UHFFFAOYSA-N
MW324.39 g/mol
LogP0.54
Rot. Bonds5

About 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide

1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 122162236) has the molecular formula C11H12N6O2S2 and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID122162236
Molecular FormulaC11H12N6O2S2
Molecular Weight324.39 g/mol
Exact Mass324.05
IUPAC Name1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cn1
InChIInChI=1S/C11H12N6O2S2/c1-16-7-11(5-12-16)21(18,19)13-4-9-6-17(15-14-9)10-2-3-20-8-10/h2-3,5-8,13H,4H2,1H3
InChIKeyJPFVEOUFTRYFBF-UHFFFAOYSA-N
XLogP0.54
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3,3,3-trifluoro-N-{[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methyl}propane-1-sulfonamide
CID 122276098
(1,5-Dimethylpyrazol-4-yl)(2-thienylsulfonyl)amine
CID 4767823
N-[(1-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 22207845
N-[(2-ethylpyrazol-3-yl)methyl]thiophene-2-sulfonamide
CID 22207894
N-(1,3-dimethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 22209098
N-(1-ethyl-3-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 22209244
N-(1-ethyl-5-methylpyrazol-4-yl)thiophene-2-sulfonamide
CID 22209291
N-(1-ethylpyrazol-4-yl)thiophene-2-sulfonamide
CID 31912964
N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 47034029
4-amino-N-(1-pyrazol-1-ylpropan-2-yl)thiophene-2-sulfonamide
CID 54951581
4-amino-N-(2-pyrazol-1-ylethyl)thiophene-2-sulfonamide
CID 54951837
N-methyl-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 56174327

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide (CID 122162236) is 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cn(-c3ccsc3)nn2)cn1.
What is the InChIKey of 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is JPFVEOUFTRYFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S2/c1-16-7-11(5-12-16)21(18,19)13-4-9-6-17(15-14-9)10-2-3-20-8-10/h2-3,5-8,13H,4H2,1H3.
What are the key properties of 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 324.39 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 122162236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).