5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide

C15H15N3O2S2 — CID 20947603

IUPAC5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)c1C
InChIInChI=1S/C15H15N3O2S2/c1-10-11(2)16-17-15(10)13-8-9-14(21-13)22(19,20)18-12-6-4-3-5-7-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyIQBGYNMJUOGCAN-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.56
Rot. Bonds4

About 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide

5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide (PubChem CID 20947603) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
PubChem CID20947603
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC Name5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)c1C
InChIInChI=1S/C15H15N3O2S2/c1-10-11(2)16-17-15(10)13-8-9-14(21-13)22(19,20)18-12-6-4-3-5-7-12/h3-9,18H,1-2H3,(H,16,17)
InChIKeyIQBGYNMJUOGCAN-UHFFFAOYSA-N
XLogP3.56
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
The IUPAC name of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide (CID 20947603) is 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide is Cc1[nH]nc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)c1C.
What is the InChIKey of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
The InChIKey is IQBGYNMJUOGCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-10-11(2)16-17-15(10)13-8-9-14(21-13)22(19,20)18-12-6-4-3-5-7-12/h3-9,18H,1-2H3,(H,16,17).
What are the key properties of 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide?
5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide has a molecular weight of 333.44 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dimethyl-1H-pyrazol-3-yl)-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 20947603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).