N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide

C17H15N3O2S2 — CID 11639028

IUPACN-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccnc(C2CC2)n1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S2/c21-24(22,20-15-10-11-18-17(19-15)13-6-7-13)16-9-8-14(23-16)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H,18,19,20)
InChIKeyAFQCVOKNLJMPAF-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.88
Rot. Bonds5

About N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide

N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide (PubChem CID 11639028) has the molecular formula C17H15N3O2S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide
PubChem CID11639028
Molecular FormulaC17H15N3O2S2
Molecular Weight357.46 g/mol
Exact Mass357.06
IUPAC NameN-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccnc(C2CC2)n1)c1ccc(-c2ccccc2)s1
InChIInChI=1S/C17H15N3O2S2/c21-24(22,20-15-10-11-18-17(19-15)13-6-7-13)16-9-8-14(23-16)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H,18,19,20)
InChIKeyAFQCVOKNLJMPAF-UHFFFAOYSA-N
XLogP3.88
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide?
The IUPAC name of N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide (CID 11639028) is N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide is O=S(=O)(Nc1ccnc(C2CC2)n1)c1ccc(-c2ccccc2)s1.
What is the InChIKey of N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide?
The InChIKey is AFQCVOKNLJMPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S2/c21-24(22,20-15-10-11-18-17(19-15)13-6-7-13)16-9-8-14(23-16)12-4-2-1-3-5-12/h1-5,8-11,13H,6-7H2,(H,18,19,20).
What are the key properties of N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide?
N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide has a molecular weight of 357.46 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpyrimidin-4-yl)-5-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 11639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).