N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C25H26N2O4S — CID 55497289

IUPACN-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1cccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O4S/c1-31-22-12-5-10-20(16-22)24-14-7-15-27(24)25(28)21-11-6-13-23(17-21)32(29,30)26-18-19-8-3-2-4-9-19/h2-6,8-13,16-17,24,26H,7,14-15,18H2,1H3
InChIKeyQQQOFUNDNXMJSX-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.15
Rot. Bonds7

About N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 55497289) has the molecular formula C25H26N2O4S and a molecular weight of 450.56 g/mol. Its IUPAC name is N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID55497289
Molecular FormulaC25H26N2O4S
Molecular Weight450.56 g/mol
Exact Mass450.16
IUPAC NameN-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1cccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O4S/c1-31-22-12-5-10-20(16-22)24-14-7-15-27(24)25(28)21-11-6-13-23(17-21)32(29,30)26-18-19-8-3-2-4-9-19/h2-6,8-13,16-17,24,26H,7,14-15,18H2,1H3
InChIKeyQQQOFUNDNXMJSX-UHFFFAOYSA-N
XLogP4.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-phenylpyrrolidine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 51325401
(2S)-1-[3-(benzylsulfamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365208
3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
3-[2-(aminomethyl)pyrrolidine-1-carbonyl]-N-benzylbenzenesulfonamide
CID 119632832
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 26666637
N-benzyl-3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119650431
3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27034304
benzyl 2-(3-methoxyphenyl)pyrrolidine-1-carboxylate
CID 137320135
methyl 4-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzoate
CID 51318465
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46700033
N-(cyclopropylmethyl)-3-(2-thiophen-3-ylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 55722221
[2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 42934876

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 55497289) is N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is COc1cccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)c1.
What is the InChIKey of N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is QQQOFUNDNXMJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O4S/c1-31-22-12-5-10-20(16-22)24-14-7-15-27(24)25(28)21-11-6-13-23(17-21)32(29,30)26-18-19-8-3-2-4-9-19/h2-6,8-13,16-17,24,26H,7,14-15,18H2,1H3.
What are the key properties of N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3-methoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 55497289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).