[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide

C12H17BrN2O2S — CID 71967808

IUPAC[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2S/c13-11-4-1-3-10(7-11)8-15-6-2-5-12(15)9-18(14,16)17/h1,3-4,7,12H,2,5-6,8-9H2,(H2,14,16,17)
InChIKeyGUKZYHABVUWYLJ-UHFFFAOYSA-N
MW333.25 g/mol
LogP1.70
Rot. Bonds4

About [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide

[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 71967808) has the molecular formula C12H17BrN2O2S and a molecular weight of 333.25 g/mol. Its IUPAC name is [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID71967808
Molecular FormulaC12H17BrN2O2S
Molecular Weight333.25 g/mol
Exact Mass332.02
IUPAC Name[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide
SMILESNS(=O)(=O)CC1CCCN1Cc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O2S/c13-11-4-1-3-10(7-11)8-15-6-2-5-12(15)9-18(14,16)17/h1,3-4,7,12H,2,5-6,8-9H2,(H2,14,16,17)
InChIKeyGUKZYHABVUWYLJ-UHFFFAOYSA-N
XLogP1.70
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.25
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Benzyl-4-[(3-bromophenyl)methylsulfonyl]piperazine
CID 71699057
N-[(4-bromophenyl)methyl]-2-[2-(dimethylamino)ethyl-methylamino]ethanesulfonamide
CID 76310307
1-Benzylpyrrolidine-3-sulfonamide
CID 45791839
2-(4-Bromobenzyl)isothiazolidine 1,1-dioxide
CID 47176171
N-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]methanesulfonamide
CID 47078002
2-Benzyl-4-(2,5-dihydropyrrol-1-yl)-1,2-thiazolidine 1,1-dioxide
CID 51359876
N-[(4-bromophenyl)methyl]-2-pyrrolidin-1-ylethanesulfonamide
CID 76328427
N-[(4-bromophenyl)methyl]-2-(dimethylamino)ethanesulfonamide
CID 76328428
1-(3-Bromobenzyl)-4-(methylsulfonyl)piperazine
CID 878352
2-[(3-Bromobenzyl)amino]ethanesulfonic Acid
CID 66553109
N'-(2-benzyl-1,1-dioxo-1,2-thiazolidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 51359875
(S)-1-((S)-2-Methyl-propane-2-sulfinyl)-2-(4-bromophenyl)-pyrrolidine
CID 44603716

Frequently Asked Questions

What is the IUPAC name of [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide (CID 71967808) is [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide is NS(=O)(=O)CC1CCCN1Cc1cccc(Br)c1.
What is the InChIKey of [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is GUKZYHABVUWYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2S/c13-11-4-1-3-10(7-11)8-15-6-2-5-12(15)9-18(14,16)17/h1,3-4,7,12H,2,5-6,8-9H2,(H2,14,16,17).
What are the key properties of [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide?
[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 333.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 71967808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).