N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C22H26N2O5S — CID 46637078

IUPACN-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-28-17-10-11-19(21(14-17)29-2)20-7-4-12-24(20)22(25)15-5-3-6-18(13-15)30(26,27)23-16-8-9-16/h3,5-6,10-11,13-14,16,20,23H,4,7-9,12H2,1-2H3
InChIKeyHZHRYHUGLOIURN-UHFFFAOYSA-N
MW430.53 g/mol
LogP3.12
Rot. Bonds7

About N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide

N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 46637078) has the molecular formula C22H26N2O5S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID46637078
Molecular FormulaC22H26N2O5S
Molecular Weight430.53 g/mol
Exact Mass430.16
IUPAC NameN-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOc1ccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(OC)c1
InChIInChI=1S/C22H26N2O5S/c1-28-17-10-11-19(21(14-17)29-2)20-7-4-12-24(20)22(25)15-5-3-6-18(13-15)30(26,27)23-16-8-9-16/h3,5-6,10-11,13-14,16,20,23H,4,7-9,12H2,1-2H3
InChIKeyHZHRYHUGLOIURN-UHFFFAOYSA-N
XLogP3.12
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-2-methoxybenzenesulfonamide
CID 42045896
3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-prop-2-ynylbenzenesulfonamide
CID 27034304
3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46510365
3-[2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 46421177
3-[(2S)-2-(4-methoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 26666637
N-[3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]-3-fluoro-4-methylbenzenesulfonamide
CID 46510472
[3-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 41219131
N-[3-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]phenyl]benzenesulfonamide
CID 25374945
(3,4-dimethoxyphenyl)-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 46636697
N-cyclopropyl-3-(2-methylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 154839161
4-chloro-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 55441059
3-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 40854673

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 46637078) is N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is COc1ccc(C2CCCN2C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(OC)c1.
What is the InChIKey of N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is HZHRYHUGLOIURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5S/c1-28-17-10-11-19(21(14-17)29-2)20-7-4-12-24(20)22(25)15-5-3-6-18(13-15)30(26,27)23-16-8-9-16/h3,5-6,10-11,13-14,16,20,23H,4,7-9,12H2,1-2H3.
What are the key properties of N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 430.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 46637078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).