5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

C20H25BrN2O4S — CID 134017257

IUPAC5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1cc(Br)ccc1OC)N1CCCC1
InChIInChI=1S/C20H25BrN2O4S/c1-26-18-8-4-3-7-16(18)17(23-11-5-6-12-23)14-22-28(24,25)20-13-15(21)9-10-19(20)27-2/h3-4,7-10,13,17,22H,5-6,11-12,14H2,1-2H3
InChIKeyGKOKNRONGQLGPE-UHFFFAOYSA-N
MW469.40 g/mol
LogP3.58
Rot. Bonds8

About 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide

5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (PubChem CID 134017257) has the molecular formula C20H25BrN2O4S and a molecular weight of 469.40 g/mol. Its IUPAC name is 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
PubChem CID134017257
Molecular FormulaC20H25BrN2O4S
Molecular Weight469.40 g/mol
Exact Mass468.07
IUPAC Name5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
SMILESCOc1ccccc1C(CNS(=O)(=O)c1cc(Br)ccc1OC)N1CCCC1
InChIInChI=1S/C20H25BrN2O4S/c1-26-18-8-4-3-7-16(18)17(23-11-5-6-12-23)14-22-28(24,25)20-13-15(21)9-10-19(20)27-2/h3-4,7-10,13,17,22H,5-6,11-12,14H2,1-2H3
InChIKeyGKOKNRONGQLGPE-UHFFFAOYSA-N
XLogP3.58
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzenesulfonamide
CID 60529924
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 47006058
4-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47006062
3,4-diethoxy-N-[(2R)-2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 52697516
3,4-diethoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 71685286
2,5-dimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 55352494
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
CID 55512367
5-bromo-2-methoxy-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 8843266
N-[2-(2-chloro-6-fluorophenyl)-2-pyrrolidin-1-ylethyl]-2,5-dimethoxybenzenesulfonamide
CID 55681910
N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 60529996
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethenesulfonamide
CID 75619770
5-bromo-2-methoxy-N-(3-methoxy-2-methylpropyl)benzenesulfonamide
CID 47429872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide (CID 134017257) is 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is COc1ccccc1C(CNS(=O)(=O)c1cc(Br)ccc1OC)N1CCCC1.
What is the InChIKey of 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
The InChIKey is GKOKNRONGQLGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O4S/c1-26-18-8-4-3-7-16(18)17(23-11-5-6-12-23)14-22-28(24,25)20-13-15(21)9-10-19(20)27-2/h3-4,7-10,13,17,22H,5-6,11-12,14H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide?
5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide has a molecular weight of 469.40 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide is sourced from PubChem (CID 134017257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).