2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C18H20N2O4S — CID 134025737

IUPAC2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-6-2-3-7-17(16)25(22,23)19-15-10-8-14(9-11-15)18(21)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-13H2,1H3
InChIKeyAYNZKUSWPSWTEJ-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.73
Rot. Bonds5

About 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 134025737) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID134025737
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C18H20N2O4S/c1-24-16-6-2-3-7-17(16)25(22,23)19-15-10-8-14(9-11-15)18(21)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-13H2,1H3
InChIKeyAYNZKUSWPSWTEJ-UHFFFAOYSA-N
XLogP2.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[4-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 100504003
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
2,4,5-trichloro-N-[4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 134404543
N-[4-(azepane-1-carbonyl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 7908023
2-methyl-N-phenyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 3330088
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
N,N-diethyl-4-[(2-methoxyphenyl)sulfonylamino]benzamide
CID 4786362
4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
2-methoxy-N-(4-methylphenyl)-5-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide
CID 24660961

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 134025737) is 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is COc1ccccc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is AYNZKUSWPSWTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c1-24-16-6-2-3-7-17(16)25(22,23)19-15-10-8-14(9-11-15)18(21)20-12-4-5-13-20/h2-3,6-11,19H,4-5,12-13H2,1H3.
What are the key properties of 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 134025737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).