4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

C20H22ClN3O5S — CID 46525069

IUPAC4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C20H22ClN3O5S/c1-29-17-7-3-2-6-16(17)23-30(27,28)18-12-14(8-9-15(18)21)20(26)22-13-19(25)24-10-4-5-11-24/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3,(H,22,26)
InChIKeyUXMKMHDDKSZNCD-UHFFFAOYSA-N
MW451.93 g/mol
LogP2.50
Rot. Bonds7

About 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide

4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 46525069) has the molecular formula C20H22ClN3O5S and a molecular weight of 451.93 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
PubChem CID46525069
Molecular FormulaC20H22ClN3O5S
Molecular Weight451.93 g/mol
Exact Mass451.10
IUPAC Name4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C20H22ClN3O5S/c1-29-17-7-3-2-6-16(17)23-30(27,28)18-12-14(8-9-15(18)21)20(26)22-13-19(25)24-10-4-5-11-24/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3,(H,22,26)
InChIKeyUXMKMHDDKSZNCD-UHFFFAOYSA-N
XLogP2.50
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.93
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364363
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
2-chloro-N-(2-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)benzenesulfonamide
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methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
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4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(oxolan-3-ylmethyl)benzamide
CID 55659385
4-chloro-N-[3-(diethylamino)propyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide chloride
CID 53314731
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
N-[(2-chlorophenyl)methyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide (CID 46525069) is 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is UXMKMHDDKSZNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O5S/c1-29-17-7-3-2-6-16(17)23-30(27,28)18-12-14(8-9-15(18)21)20(26)22-13-19(25)24-10-4-5-11-24/h2-3,6-9,12,23H,4-5,10-11,13H2,1H3,(H,22,26).
What are the key properties of 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide?
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 451.93 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 46525069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).