2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide

C22H21BrN2O3S — CID 55332785

IUPAC2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C22H21BrN2O3S/c1-24(18-9-8-16-6-2-3-7-17(16)14-18)22(26)20-15-19(10-11-21(20)23)29(27,28)25-12-4-5-13-25/h2-3,6-11,14-15H,4-5,12-13H2,1H3
InChIKeyGTPCYSZDLKXCDH-UHFFFAOYSA-N
MW473.39 g/mol
LogP4.66
Rot. Bonds4

About 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide

2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55332785) has the molecular formula C22H21BrN2O3S and a molecular weight of 473.39 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55332785
Molecular FormulaC22H21BrN2O3S
Molecular Weight473.39 g/mol
Exact Mass472.05
IUPAC Name2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)c1ccc2ccccc2c1
InChIInChI=1S/C22H21BrN2O3S/c1-24(18-9-8-16-6-2-3-7-17(16)14-18)22(26)20-15-19(10-11-21(20)23)29(27,28)25-12-4-5-13-25/h2-3,6-11,14-15H,4-5,12-13H2,1H3
InChIKeyGTPCYSZDLKXCDH-UHFFFAOYSA-N
XLogP4.66
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.39
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-methyl-N-naphthalen-2-ylbenzamide
CID 26904305
N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
CID 26904308
2-bromo-5-pyrrolidin-1-ylsulfonylbenzoic acid
CID 796412
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722
2-bromo-N-methyl-N-(4-methylpentan-2-yl)-5-piperidin-1-ylsulfonylbenzamide
CID 43067406
(2-bromo-5-pyrrolidin-1-ylsulfonylphenyl)-pyrrolidin-1-ylmethanone
CID 32615367
2-bromo-N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 55897331
2-bromo-N-(2-bromophenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26913737
N-(3,5-dimethylphenyl)-N-methyl-2-piperidin-1-ylsulfonylbenzamide
CID 55918493
2-bromo-N-[4-(diethylamino)phenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26087024
1-methyl-4-naphthalen-2-ylsulfonyl-1,4-diazepan-1-ium
CID 2429370
N-methyl-N-naphthalen-2-ylnaphthalene-2-carboxamide
CID 26904267

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55332785) is 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide is CN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is GTPCYSZDLKXCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3S/c1-24(18-9-8-16-6-2-3-7-17(16)14-18)22(26)20-15-19(10-11-21(20)23)29(27,28)25-12-4-5-13-25/h2-3,6-11,14-15H,4-5,12-13H2,1H3.
What are the key properties of 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide?
2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 473.39 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-naphthalen-2-yl-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55332785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).