2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide

C14H13N3O2S2 — CID 67299069

IUPAC2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1csc(-c2cn[nH]c2)c1
InChIInChI=1S/C14H13N3O2S2/c1-10-4-2-3-5-14(10)21(18,19)17-12-6-13(20-9-12)11-7-15-16-8-11/h2-9,17H,1H3,(H,15,16)
InChIKeyHCKDPVHMOYJQDH-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.25
Rot. Bonds4

About 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide

2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide (PubChem CID 67299069) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide
PubChem CID67299069
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1csc(-c2cn[nH]c2)c1
InChIInChI=1S/C14H13N3O2S2/c1-10-4-2-3-5-14(10)21(18,19)17-12-6-13(20-9-12)11-7-15-16-8-11/h2-9,17H,1H3,(H,15,16)
InChIKeyHCKDPVHMOYJQDH-UHFFFAOYSA-N
XLogP3.25
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide (CID 67299069) is 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1csc(-c2cn[nH]c2)c1.
What is the InChIKey of 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide?
The InChIKey is HCKDPVHMOYJQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c1-10-4-2-3-5-14(10)21(18,19)17-12-6-13(20-9-12)11-7-15-16-8-11/h2-9,17H,1H3,(H,15,16).
What are the key properties of 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide?
2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide has a molecular weight of 319.41 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-(1H-pyrazol-4-yl)thiophen-3-yl]benzenesulfonamide is sourced from PubChem (CID 67299069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).