(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C12H15BrN2O3S — CID 99856807

IUPAC(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1
InChIInChI=1S/C12H15BrN2O3S/c1-8-5-9(13)7-10(6-8)19(17,18)15-4-2-3-11(15)12(14)16/h5-7,11H,2-4H2,1H3,(H2,14,16)/t11-/m1/s1
InChIKeyDRUVKBCROMHMJX-LLVKDONJSA-N
MW347.23 g/mol
LogP1.40
Rot. Bonds3

About (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 99856807) has the molecular formula C12H15BrN2O3S and a molecular weight of 347.23 g/mol. Its IUPAC name is (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID99856807
Molecular FormulaC12H15BrN2O3S
Molecular Weight347.23 g/mol
Exact Mass346.00
IUPAC Name(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1
InChIInChI=1S/C12H15BrN2O3S/c1-8-5-9(13)7-10(6-8)19(17,18)15-4-2-3-11(15)12(14)16/h5-7,11H,2-4H2,1H3,(H2,14,16)/t11-/m1/s1
InChIKeyDRUVKBCROMHMJX-LLVKDONJSA-N
XLogP1.40
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-carbamoylpyrrolidin-1-yl)sulfonyl-2-methylbenzoic acid
CID 43079082
1-(5-bromo-2-methylphenyl)sulfonylpiperidine-2-carboxamide
CID 60660626
(2S)-1-(3,5-dimethylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 66263682
(2R)-1-(4-tert-butylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2392292
1-(2-amino-4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 43258628
1-(4-bromo-2-ethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 6735653
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
1-(3-amino-4-bromophenyl)sulfonylpiperidine-2-carboxamide
CID 115328958
1-(4-cyano-3-methylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 106832975
1-(4-bromophenyl)sulfonyl-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide
CID 24617125
1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylpyrrolidine-2-carboxamide
CID 49454548
1-(4-propylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 3790655

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 99856807) is (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2C(N)=O)c1.
What is the InChIKey of (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is DRUVKBCROMHMJX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15BrN2O3S/c1-8-5-9(13)7-10(6-8)19(17,18)15-4-2-3-11(15)12(14)16/h5-7,11H,2-4H2,1H3,(H2,14,16)/t11-/m1/s1.
What are the key properties of (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 347.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-bromo-5-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 99856807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).