2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide

C17H16ClN3O4S — CID 35547044

IUPAC2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl
InChIInChI=1S/C17H16ClN3O4S/c18-15-8-3-11(10-14(15)17(19)23)20-26(24,25)13-6-4-12(5-7-13)21-9-1-2-16(21)22/h3-8,10,20H,1-2,9H2,(H2,19,23)
InChIKeyPYBFKLPWUCANGN-UHFFFAOYSA-N
MW393.85 g/mol
LogP2.37
Rot. Bonds5

About 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide

2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide (PubChem CID 35547044) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
PubChem CID35547044
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl
InChIInChI=1S/C17H16ClN3O4S/c18-15-8-3-11(10-14(15)17(19)23)20-26(24,25)13-6-4-12(5-7-13)21-9-1-2-16(21)22/h3-8,10,20H,1-2,9H2,(H2,19,23)
InChIKeyPYBFKLPWUCANGN-UHFFFAOYSA-N
XLogP2.37
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 614231
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(4-chlorophenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822397
2-chloro-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-5-sulfamoylbenzamide
CID 46549243
N-(4-methylsulfonylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8823223
4-(2-oxopyrrolidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656653
N-methyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfamoyl]benzamide
CID 26781606
N,N-dimethyl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide
CID 24580878
4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 99957298
2-[(4-chlorophenyl)sulfonylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 35893819
N-(2-chloro-4-methylphenyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 8822523
N-[4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636091

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide (CID 35547044) is 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide is NC(=O)c1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is PYBFKLPWUCANGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c18-15-8-3-11(10-14(15)17(19)23)20-26(24,25)13-6-4-12(5-7-13)21-9-1-2-16(21)22/h3-8,10,20H,1-2,9H2,(H2,19,23).
What are the key properties of 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide?
2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 393.85 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 35547044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).