(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide

C12H17BrN2O2S — CID 97055840

IUPAC(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Br
InChIInChI=1S/C12H17BrN2O2S/c1-14(2)18(16,17)15-9-5-8-12(15)10-6-3-4-7-11(10)13/h3-4,6-7,12H,5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGUDPKHRLERHDPW-GFCCVEGCSA-N
MW333.25 g/mol
LogP2.39
Rot. Bonds3

About (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide

(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 97055840) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID97055840
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Br
InChIInChI=1S/C12H17BrN2O2S/c1-14(2)18(16,17)15-9-5-8-12(15)10-6-3-4-7-11(10)13/h3-4,6-7,12H,5,8-9H2,1-2H3/t12-/m1/s1
InChIKeyGUDPKHRLERHDPW-GFCCVEGCSA-N
XLogP2.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2-fluorophenyl)-1-methylsulfonylpyrrolidine
CID 51694778
(2S)-N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 97344897
N,N-dimethyl-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepane-1-sulfonamide
CID 75474761
2-[6-[(2R)-1-(dimethylsulfamoyl)pyrrolidin-2-yl]-3-pyridinyl]benzoic acid
CID 125020291
(2S)-2-amino-1-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 124568245
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
N,N,2-trimethylpyrrolidine-1-sulfonamide
CID 110728214
(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
CID 124605898
N,N-dimethyl-2-[6-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110265114
N,N-dimethyl-2-phenacylpyrrolidine-1-sulfonamide
CID 75448267
N,N-dimethyl-2-[6-(2-methylpyrazol-3-yl)-2-pyridinyl]pyrrolidine-1-sulfonamide
CID 110101899
1-(2-bromophenyl)sulfonyl-2-(2,5-dimethoxyphenyl)pyrrolidine
CID 17488650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide (CID 97055840) is (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H]1c1ccccc1Br.
What is the InChIKey of (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is GUDPKHRLERHDPW-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c1-14(2)18(16,17)15-9-5-8-12(15)10-6-3-4-7-11(10)13/h3-4,6-7,12H,5,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide?
(2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 333.25 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-bromophenyl)-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 97055840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).