N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide

C23H22N2O4S — CID 60606661

IUPACN-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESCN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-24(21-10-5-6-11-22(21)29-19-8-3-2-4-9-19)30(27,28)20-15-13-18(14-16-20)25-17-7-12-23(25)26/h2-6,8-11,13-16H,7,12,17H2,1H3
InChIKeyPIMLDGOIVBKASB-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.43
Rot. Bonds6

About N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide

N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide (PubChem CID 60606661) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide
PubChem CID60606661
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC NameN-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide
SMILESCN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C23H22N2O4S/c1-24(21-10-5-6-11-22(21)29-19-8-3-2-4-9-19)30(27,28)20-15-13-18(14-16-20)25-17-7-12-23(25)26/h2-6,8-11,13-16H,7,12,17H2,1H3
InChIKeyPIMLDGOIVBKASB-UHFFFAOYSA-N
XLogP4.43
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 94605999
N-[(S)-(4-fluorophenyl)-phenylmethyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31111887
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 100579283
1-[2-(N-methyl-2-phenoxyanilino)ethyl]pyrrolidin-2-one
CID 56549437
N,4-dimethyl-3-nitro-N-(2-phenoxyphenyl)benzenesulfonamide
CID 60606577
N,N-dibutyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 2249244
(2-chlorophenyl) 4-(2-oxopyrrolidin-1-yl)benzenesulfonate
CID 2817313
1-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidin-2-one
CID 822790
1-[3-[3-(2-oxopyrrolidin-1-yl)phenoxy]phenyl]pyrrolidin-2-one
CID 142760205
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 43916333
1-[4-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 46557463
N-[3-[methyl(methylsulfonyl)amino]phenyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46762833

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide?
The IUPAC name of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide (CID 60606661) is N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide is CN(c1ccccc1Oc1ccccc1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide?
The InChIKey is PIMLDGOIVBKASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-24(21-10-5-6-11-22(21)29-19-8-3-2-4-9-19)30(27,28)20-15-13-18(14-16-20)25-17-7-12-23(25)26/h2-6,8-11,13-16H,7,12,17H2,1H3.
What are the key properties of N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide?
N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-oxopyrrolidin-1-yl)-N-(2-phenoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 60606661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).