N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide

C12H18N2O4S — CID 65422631

IUPACN-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C2CCNC2)c(OC)c1
InChIInChI=1S/C12H18N2O4S/c1-17-9-3-4-11(12(7-9)18-2)14-19(15,16)10-5-6-13-8-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3
InChIKeyCANVDXLHGFHWFS-UHFFFAOYSA-N
MW286.35 g/mol
LogP0.81
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide

N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide (PubChem CID 65422631) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
PubChem CID65422631
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)C2CCNC2)c(OC)c1
InChIInChI=1S/C12H18N2O4S/c1-17-9-3-4-11(12(7-9)18-2)14-19(15,16)10-5-6-13-8-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3
InChIKeyCANVDXLHGFHWFS-UHFFFAOYSA-N
XLogP0.81
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methoxyphenyl)pyrrolidine-3-sulfonamide
CID 65422211
N-(2-methoxyphenyl)piperidine-3-sulfonamide
CID 24690815
N-(2,4-dimethylphenyl)pyrrolidine-3-sulfonamide
CID 65419614
N-(2-fluoro-4-methylphenyl)pyrrolidine-3-sulfonamide
CID 65420035
N-(2,4-difluorophenyl)pyrrolidine-3-sulfonamide
CID 65420908
N-(2,4-dibromo-5-methoxyphenyl)piperidine-3-sulfonamide
CID 103415161
N-[2-(difluoromethoxy)phenyl]pyrrolidine-3-sulfonamide
CID 65420037
N-(2-tert-butylphenyl)pyrrolidine-3-sulfonamide
CID 65418123
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
2,5-dimethoxy-N-[(3S)-pyrrolidin-3-yl]benzenesulfonamide
CID 79686260
N-[(2-methoxyphenyl)methyl]pyrrolidine-3-sulfonamide
CID 65422417
2,4-dimethoxy-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298346

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide (CID 65422631) is N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide is COc1ccc(NS(=O)(=O)C2CCNC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide?
The InChIKey is CANVDXLHGFHWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-9-3-4-11(12(7-9)18-2)14-19(15,16)10-5-6-13-8-10/h3-4,7,10,13-14H,5-6,8H2,1-2H3.
What are the key properties of N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide?
N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide has a molecular weight of 286.35 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)pyrrolidine-3-sulfonamide is sourced from PubChem (CID 65422631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).