N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide

C21H20N2O4S — CID 7635888

IUPACN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
InChIInChI=1S/C21H20N2O4S/c1-27-20-14-17(9-11-19(20)23-12-4-7-21(23)24)22-28(25,26)18-10-8-15-5-2-3-6-16(15)13-18/h2-3,5-6,8-11,13-14,22H,4,7,12H2,1H3
InChIKeyQOQZRPWLCKOQGF-UHFFFAOYSA-N
MW396.47 g/mol
LogP3.78
Rot. Bonds5

About N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide

N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide (PubChem CID 7635888) has the molecular formula C21H20N2O4S and a molecular weight of 396.47 g/mol. Its IUPAC name is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
PubChem CID7635888
Molecular FormulaC21H20N2O4S
Molecular Weight396.47 g/mol
Exact Mass396.11
IUPAC NameN-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O
InChIInChI=1S/C21H20N2O4S/c1-27-20-14-17(9-11-19(20)23-12-4-7-21(23)24)22-28(25,26)18-10-8-15-5-2-3-6-16(15)13-18/h2-3,5-6,8-11,13-14,22H,4,7,12H2,1H3
InChIKeyQOQZRPWLCKOQGF-UHFFFAOYSA-N
XLogP3.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636062
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636178
3,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 17495368
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876
4-fluoro-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 7636257
3-fluoro-4-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7636048
4-methoxy-N-(3-methylphenyl)-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284103
2,5-dimethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzenesulfonamide
CID 7636218
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46764647
4-fluoro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-methylbenzenesulfonamide
CID 7635910
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 43916699

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide (CID 7635888) is N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide is COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is QOQZRPWLCKOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O4S/c1-27-20-14-17(9-11-19(20)23-12-4-7-21(23)24)22-28(25,26)18-10-8-15-5-2-3-6-16(15)13-18/h2-3,5-6,8-11,13-14,22H,4,7,12H2,1H3.
What are the key properties of N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide?
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 396.47 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 7635888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).