N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide

C23H23N3O4S — CID 43043956

IUPACN-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2c2ccncc2)c1
InChIInChI=1S/C23H23N3O4S/c1-30-22-10-3-2-8-20(22)25-31(28,29)19-7-4-6-18(16-19)23(27)26-15-5-9-21(26)17-11-13-24-14-12-17/h2-4,6-8,10-14,16,21,25H,5,9,15H2,1H3
InChIKeyDNBVQGPQGUPEQE-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.87
Rot. Bonds6

About N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide

N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 43043956) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID43043956
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2c2ccncc2)c1
InChIInChI=1S/C23H23N3O4S/c1-30-22-10-3-2-8-20(22)25-31(28,29)19-7-4-6-18(16-19)23(27)26-15-5-9-21(26)17-11-13-24-14-12-17/h2-4,6-8,10-14,16,21,25H,5,9,15H2,1H3
InChIKeyDNBVQGPQGUPEQE-UHFFFAOYSA-N
XLogP3.87
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 26666637
N-(2-methoxyphenyl)-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544059
1-[3-[(2-methoxyphenyl)sulfamoyl]benzoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55933258
3-[(2-methoxyphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 24686310
(3-bromophenyl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 46632632
[3-(methoxymethyl)phenyl]-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 86920457
N-(2-methoxyphenyl)-2-[2-methoxy-4-(2-pyridin-4-ylazepane-1-carbonyl)phenoxy]acetamide
CID 55764627
3-(2,6-dimethylmorpholine-4-carbonyl)-N-(2-methoxyphenyl)benzenesulfonamide
CID 24981051
3-[(cyclopropanecarbonylamino)carbamoyl]-N-(2-methoxyphenyl)benzenesulfonamide
CID 2666822
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46510365
3-(2-phenylpyrrolidine-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 51325401

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide (CID 43043956) is N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide is COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N2CCCC2c2ccncc2)c1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is DNBVQGPQGUPEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-22-10-3-2-8-20(22)25-31(28,29)19-7-4-6-18(16-19)23(27)26-15-5-9-21(26)17-11-13-24-14-12-17/h2-4,6-8,10-14,16,21,25H,5,9,15H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide?
N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(2-pyridin-4-ylpyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 43043956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).