N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide

C25H26N2O5S — CID 25374945

IUPACN-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O5S/c1-31-20-13-14-24(32-2)22(17-20)23-12-7-15-27(23)25(28)18-8-6-9-19(16-18)26-33(29,30)21-10-4-3-5-11-21/h3-6,8-11,13-14,16-17,23,26H,7,12,15H2,1-2H3/t23-/m0/s1
InChIKeyNWODUQSJOKEJOD-QHCPKHFHSA-N
MW466.56 g/mol
LogP4.48
Rot. Bonds7

About N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide

N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 25374945) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID25374945
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC NameN-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCOc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1
InChIInChI=1S/C25H26N2O5S/c1-31-20-13-14-24(32-2)22(17-20)23-12-7-15-27(23)25(28)18-8-6-9-19(16-18)26-33(29,30)21-10-4-3-5-11-21/h3-6,8-11,13-14,16-17,23,26H,7,12,15H2,1-2H3/t23-/m0/s1
InChIKeyNWODUQSJOKEJOD-QHCPKHFHSA-N
XLogP4.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 55555216
3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 40854673
N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 46510472
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46510365
tert-butyl N-[3-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]carbamate
CID 55388968
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(3-fluorophenyl)methanone
CID 43033960
[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 46525291
N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 46637078
N-(3-acetylphenyl)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 55697171
3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27034304
4-[4-[2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenoxy]benzamide
CID 56545543
1-[3-(benzenesulfonamido)benzoyl]-N-methylpyrrolidine-2-carboxamide
CID 50816019

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide (CID 25374945) is N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide is COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is NWODUQSJOKEJOD-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-31-20-13-14-24(32-2)22(17-20)23-12-7-15-27(23)25(28)18-8-6-9-19(16-18)26-33(29,30)21-10-4-3-5-11-21/h3-6,8-11,13-14,16-17,23,26H,7,12,15H2,1-2H3/t23-/m0/s1.
What are the key properties of N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide?
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 466.56 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 25374945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).