1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide

C14H14N4O2S2 — CID 91630717

IUPAC1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cn1
InChIInChI=1S/C14H14N4O2S2/c1-18-10-13(9-16-18)22(19,20)17-7-11-5-12(8-15-6-11)14-3-2-4-21-14/h2-6,8-10,17H,7H2,1H3
InChIKeyFBRCQJXRCOETKS-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.02
Rot. Bonds5

About 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide

1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide (PubChem CID 91630717) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
PubChem CID91630717
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cn1
InChIInChI=1S/C14H14N4O2S2/c1-18-10-13(9-16-18)22(19,20)17-7-11-5-12(8-15-6-11)14-3-2-4-21-14/h2-6,8-10,17H,7H2,1H3
InChIKeyFBRCQJXRCOETKS-UHFFFAOYSA-N
XLogP2.02
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide (CID 91630717) is 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2cncc(-c3cccs3)c2)cn1.
What is the InChIKey of 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is FBRCQJXRCOETKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-18-10-13(9-16-18)22(19,20)17-7-11-5-12(8-15-6-11)14-3-2-4-21-14/h2-6,8-10,17H,7H2,1H3.
What are the key properties of 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide has a molecular weight of 334.43 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-thiophen-2-yl-3-pyridinyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91630717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).