[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine

C14H13N3O2S2 — CID 130344909

IUPAC[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C14H13N3O2S2/c15-8-12-6-7-14(20-12)21(18,19)13-9-16-17(10-13)11-4-2-1-3-5-11/h1-7,9-10H,8,15H2
InChIKeyUKOCPCYQDHAWAO-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.23
Rot. Bonds4

About [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine

[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine (PubChem CID 130344909) has the molecular formula C14H13N3O2S2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine
PubChem CID130344909
Molecular FormulaC14H13N3O2S2
Molecular Weight319.41 g/mol
Exact Mass319.04
IUPAC Name[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine
SMILESNCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1
InChIInChI=1S/C14H13N3O2S2/c15-8-12-6-7-14(20-12)21(18,19)13-9-16-17(10-13)11-4-2-1-3-5-11/h1-7,9-10H,8,15H2
InChIKeyUKOCPCYQDHAWAO-UHFFFAOYSA-N
XLogP2.23
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine?
The IUPAC name of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine (CID 130344909) is [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine.
What is the SMILES notation for [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine?
The canonical SMILES for [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine is NCc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2)s1.
What is the InChIKey of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine?
The InChIKey is UKOCPCYQDHAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S2/c15-8-12-6-7-14(20-12)21(18,19)13-9-16-17(10-13)11-4-2-1-3-5-11/h1-7,9-10H,8,15H2.
What are the key properties of [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine?
[5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine has a molecular weight of 319.41 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenylpyrazol-4-yl)sulfonylthiophen-2-yl]methanamine is sourced from PubChem (CID 130344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).