3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

C17H14ClN3O3S2 — CID 22581363

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H14ClN3O3S2/c18-13-3-5-14(6-4-13)26(23,24)9-7-16(22)21-17-20-15(11-25-17)12-2-1-8-19-10-12/h1-6,8,10-11H,7,9H2,(H,20,21,22)
InChIKeyBEIBIUIBOIENQK-UHFFFAOYSA-N
MW407.90 g/mol
LogP3.66
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 22581363) has the molecular formula C17H14ClN3O3S2 and a molecular weight of 407.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID22581363
Molecular FormulaC17H14ClN3O3S2
Molecular Weight407.90 g/mol
Exact Mass407.02
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H14ClN3O3S2/c18-13-3-5-14(6-4-13)26(23,24)9-7-16(22)21-17-20-15(11-25-17)12-2-1-8-19-10-12/h1-6,8,10-11H,7,9H2,(H,20,21,22)
InChIKeyBEIBIUIBOIENQK-UHFFFAOYSA-N
XLogP3.66
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.90
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 22581363) is 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is BEIBIUIBOIENQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3S2/c18-13-3-5-14(6-4-13)26(23,24)9-7-16(22)21-17-20-15(11-25-17)12-2-1-8-19-10-12/h1-6,8,10-11H,7,9H2,(H,20,21,22).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 407.90 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 22581363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).