N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide

C21H18ClN3O5S — CID 69439505

IUPACN-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(CCNC(=O)c1ccc(-n2ccccc2=O)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O5S/c22-16-6-10-18(11-7-16)31(29,30)24-19(26)12-13-23-21(28)15-4-8-17(9-5-15)25-14-2-1-3-20(25)27/h1-11,14H,12-13H2,(H,23,28)(H,24,26)
InChIKeyZHNWLCSOASDZFE-UHFFFAOYSA-N
MW459.91 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide

N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide (PubChem CID 69439505) has the molecular formula C21H18ClN3O5S and a molecular weight of 459.91 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide
PubChem CID69439505
Molecular FormulaC21H18ClN3O5S
Molecular Weight459.91 g/mol
Exact Mass459.07
IUPAC NameN-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide
SMILESO=C(CCNC(=O)c1ccc(-n2ccccc2=O)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClN3O5S/c22-16-6-10-18(11-7-16)31(29,30)24-19(26)12-13-23-21(28)15-4-8-17(9-5-15)25-14-2-1-3-20(25)27/h1-11,14H,12-13H2,(H,23,28)(H,24,26)
InChIKeyZHNWLCSOASDZFE-UHFFFAOYSA-N
XLogP2.12
TPSA114.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.91
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4-chlorophenyl)sulfonylamino]-2-oxo-1-phenylethyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 69439396
N-[2-[(4-chlorobenzoyl)amino]cyclopentyl]-4-(2-oxo-1-pyridinyl)benzamide
CID 75027304
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
2-[2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]ethyl]benzamide
CID 173169663
N-[2-[3-(4-chlorophenyl)propanoylamino]ethyl]-4-pyrrol-1-ylbenzamide
CID 108542293
N-[(1S,2R)-2-[(6-chloronaphthalen-2-yl)sulfonylamino]cyclohexyl]-4-(2-oxo-1-pyridinyl)benzamide;sulfane
CID 160852973
N-[2-(4-chlorophenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 9403209
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
N-(4-chlorophenyl)sulfonyl-4-(2-fluorophenoxy)butanamide
CID 60552057
2-amino-N-(4-chlorophenyl)sulfonylacetamide
CID 23501070
4-(benzenesulfonamido)-N-[2-(4-chlorophenyl)ethyl]benzamide
CID 24635222
5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 10433624

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide (CID 69439505) is N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide is O=C(CCNC(=O)c1ccc(-n2ccccc2=O)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide?
The InChIKey is ZHNWLCSOASDZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O5S/c22-16-6-10-18(11-7-16)31(29,30)24-19(26)12-13-23-21(28)15-4-8-17(9-5-15)25-14-2-1-3-20(25)27/h1-11,14H,12-13H2,(H,23,28)(H,24,26).
What are the key properties of N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide?
N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide has a molecular weight of 459.91 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)sulfonylamino]-3-oxopropyl]-4-(2-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 69439505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).