N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C18H19ClN2O4S — CID 53284127

IUPACN-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-9-8-14(11-16(17)21-10-4-7-18(21)22)26(23,24)20-12-13-5-2-3-6-15(13)19/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3
InChIKeyQWRPXSHAVGQDRR-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.95
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 53284127) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID53284127
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1N1CCCC1=O
InChIInChI=1S/C18H19ClN2O4S/c1-25-17-9-8-14(11-16(17)21-10-4-7-18(21)22)26(23,24)20-12-13-5-2-3-6-15(13)19/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3
InChIKeyQWRPXSHAVGQDRR-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 46767386
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43904484
4-methoxy-N-(3-methoxypropyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30393955
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699
N-[2-[(3,4-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92646616
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 46763903
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 133250631
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
N-(2-chloro-5-nitrophenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 30400695
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 92672793
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 100530587

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 53284127) is N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1N1CCCC1=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is QWRPXSHAVGQDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-25-17-9-8-14(11-16(17)21-10-4-7-18(21)22)26(23,24)20-12-13-5-2-3-6-15(13)19/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 53284127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).