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

C14H14N4O2S2 — CID 91625719

IUPAC1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cn1
InChIInChI=1S/C14H14N4O2S2/c1-18-9-13(8-16-18)22(19,20)17-7-11-2-4-15-14(6-11)12-3-5-21-10-12/h2-6,8-10,17H,7H2,1H3
InChIKeyWWPZGDQPJZQYNU-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.02
Rot. Bonds5

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

1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide (PubChem CID 91625719) has the molecular formula C14H14N4O2S2 and a molecular weight of 334.43 g/mol. Its IUPAC name is 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
PubChem CID91625719
Molecular FormulaC14H14N4O2S2
Molecular Weight334.43 g/mol
Exact Mass334.06
IUPAC Name1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cn1
InChIInChI=1S/C14H14N4O2S2/c1-18-9-13(8-16-18)22(19,20)17-7-11-2-4-15-14(6-11)12-3-5-21-10-12/h2-6,8-10,17H,7H2,1H3
InChIKeyWWPZGDQPJZQYNU-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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Related Compounds

N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166054
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]cyclopropanesulfonamide
CID 121165977
2,6-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166004
3-methyl-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 122245927
2,5-difluoro-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166003
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 91625714
5-chloro-2-methoxy-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625706
4-(2-chlorophenoxy)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166043

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide (CID 91625719) is 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCc2ccnc(-c3ccsc3)c2)cn1.
What is the InChIKey of 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
The InChIKey is WWPZGDQPJZQYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S2/c1-18-9-13(8-16-18)22(19,20)17-7-11-2-4-15-14(6-11)12-3-5-21-10-12/h2-6,8-10,17H,7H2,1H3.
What are the key properties of 1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[(2-thiophen-3-yl-4-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-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 91625719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).