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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Related Compounds

6-[(5-methylthiophen-2-yl)sulfonylamino]pyridine-2-carboxylic acid
CID 5263723
5-phenyl-N-prop-2-ynylthiophene-2-sulfonamide
CID 170206165
5-(2-cyclopentyl-1,3-oxazol-5-yl)-N-(2,6-dimethylphenyl)thiophene-2-sulfonamide
CID 53103094
5-chloro-N-(5-phenyl-2-pyridinyl)thiophene-2-sulfonamide
CID 110634676
N-(2-chloropyrimidin-4-yl)naphthalene-1-sulfonamide
CID 114795856
5-(2-cyclopropylpyrimidin-4-yl)thiophene-2-carbaldehyde
CID 122242400
5-(4-methylphenyl)-N-(5-methylthiophen-2-yl)thiophene-2-sulfonamide
CID 159287719
5-(3-methyl-1,2-oxazol-5-yl)-N-pyridin-2-ylthiophene-2-sulfonamide
CID 20936287
3-bromo-N-(6-cyclopropyl-2-pyridinyl)furan-2-sulfonamide
CID 146141219
N-(6-tert-butyl-2-pyridinyl)-5-chlorothiophene-2-sulfonamide
CID 166328784
2-(4-ethylcyclohexyl)-N-methylpyrimidin-4-amine
CID 65391328
2-[(2-cyclopropylpyrimidin-4-yl)amino]acetic acid
CID 83830305

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).