3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide

C19H17ClN4O4S — CID 56519883

IUPAC3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C19H17ClN4O4S/c20-14-4-2-6-17(10-14)29(27,28)23-8-7-18(26)24-15-11-21-19(22-12-15)13-3-1-5-16(25)9-13/h1-6,9-12,23,25H,7-8H2,(H,24,26)
InChIKeyHEEOIGBODMYDLU-UHFFFAOYSA-N
MW432.89 g/mol
LogP2.81
Rot. Bonds7

About 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide

3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide (PubChem CID 56519883) has the molecular formula C19H17ClN4O4S and a molecular weight of 432.89 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
PubChem CID56519883
Molecular FormulaC19H17ClN4O4S
Molecular Weight432.89 g/mol
Exact Mass432.07
IUPAC Name3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cnc(-c2cccc(O)c2)nc1
InChIInChI=1S/C19H17ClN4O4S/c20-14-4-2-6-17(10-14)29(27,28)23-8-7-18(26)24-15-11-21-19(22-12-15)13-3-1-5-16(25)9-13/h1-6,9-12,23,25H,7-8H2,(H,24,26)
InChIKeyHEEOIGBODMYDLU-UHFFFAOYSA-N
XLogP2.81
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide
CID 56520139
4-[3-[(3-chlorophenyl)sulfonylamino]propanoylamino]benzamide
CID 26636174
3-[(4-bromophenyl)sulfonylamino]-N-(2-phenylpyrimidin-5-yl)propanamide
CID 134009303
3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
3-[(3-chlorophenyl)sulfonylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55869859
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 26578624
N-(5-tert-butyl-1H-pyrazol-3-yl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55975541
3-[(3-chlorophenyl)sulfonylamino]-N-propan-2-ylpropanamide
CID 27648389
3-[(3-chlorophenyl)sulfonylamino]-N-(4,5-dihydro-1,3-thiazol-2-yl)propanamide
CID 46559131
3-[(3-chlorophenyl)sulfonylamino]-N-(pyridin-2-ylmethyl)propanamide
CID 35511627
3-chloro-N-[3-[2-(4,6-dimethylpyrimidin-2-yl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 30132724
3-[(3-chlorophenyl)sulfonylamino]-N-[4-(3-methylpyrrolidin-1-yl)phenyl]propanamide
CID 56557578

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide (CID 56519883) is 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide is O=C(CCNS(=O)(=O)c1cccc(Cl)c1)Nc1cnc(-c2cccc(O)c2)nc1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
The InChIKey is HEEOIGBODMYDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O4S/c20-14-4-2-6-17(10-14)29(27,28)23-8-7-18(26)24-15-11-21-19(22-12-15)13-3-1-5-16(25)9-13/h1-6,9-12,23,25H,7-8H2,(H,24,26).
What are the key properties of 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide?
3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide has a molecular weight of 432.89 g/mol, XLogP of 2.81, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfonylamino]-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]propanamide is sourced from PubChem (CID 56519883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).