(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C19H21BrN2O3S — CID 41023465

IUPAC(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-13-5-8-16(9-6-13)26(24,25)22-11-3-4-18(22)19(23)21-17-10-7-15(20)12-14(17)2/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyYUEZYJDNPIXMOC-SFHVURJKSA-N
MW437.36 g/mol
LogP3.86
Rot. Bonds4

About (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 41023465) has the molecular formula C19H21BrN2O3S and a molecular weight of 437.36 g/mol. Its IUPAC name is (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID41023465
Molecular FormulaC19H21BrN2O3S
Molecular Weight437.36 g/mol
Exact Mass436.05
IUPAC Name(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2C)cc1
InChIInChI=1S/C19H21BrN2O3S/c1-13-5-8-16(9-6-13)26(24,25)22-11-3-4-18(22)19(23)21-17-10-7-15(20)12-14(17)2/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m0/s1
InChIKeyYUEZYJDNPIXMOC-SFHVURJKSA-N
XLogP3.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)sulfonyl-N-(4-fluoro-2-methylphenyl)piperidine-2-carboxamide
CID 50762358
(2S)-1-(4-bromophenyl)sulfonyl-N-(4-chloro-2-methylphenyl)piperidine-2-carboxamide
CID 92887761
N-(2-benzoyl-4-bromophenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 16924886
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887776
(2S)-1-(4-bromophenyl)sulfonyl-N-(2-chloro-4-methylphenyl)piperidine-2-carboxamide
CID 92887775
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 92887697
(2R)-1-(benzenesulfonyl)-N-(2,4-dimethylphenyl)piperidine-2-carboxamide
CID 8714416
(2R)-1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42090206
1-(4-bromophenyl)sulfonyl-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 42935531
(2R)-N-(4-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 1084740
(2S)-1-(4-bromo-2-methylphenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 91970942

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 41023465) is (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(Br)cc2C)cc1.
What is the InChIKey of (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is YUEZYJDNPIXMOC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21BrN2O3S/c1-13-5-8-16(9-6-13)26(24,25)22-11-3-4-18(22)19(23)21-17-10-7-15(20)12-14(17)2/h5-10,12,18H,3-4,11H2,1-2H3,(H,21,23)/t18-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 437.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 41023465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).