3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide

C10H13Br2NO2S — CID 106441720

IUPAC3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H13Br2NO2S/c1-13(7-3-6-11)16(14,15)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7H2,1H3
InChIKeyNPJPBEUNRMWWRL-UHFFFAOYSA-N
MW371.09 g/mol
LogP2.85
Rot. Bonds5

About 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide

3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide (PubChem CID 106441720) has the molecular formula C10H13Br2NO2S and a molecular weight of 371.09 g/mol. Its IUPAC name is 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
PubChem CID106441720
Molecular FormulaC10H13Br2NO2S
Molecular Weight371.09 g/mol
Exact Mass368.90
IUPAC Name3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
SMILESCN(CCCBr)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H13Br2NO2S/c1-13(7-3-6-11)16(14,15)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7H2,1H3
InChIKeyNPJPBEUNRMWWRL-UHFFFAOYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.09
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
4-bromo-N-(3-bromopropyl)-2-chloro-N-methylbenzenesulfonamide
CID 106441744
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
3-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253102
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide (CID 106441720) is 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide is CN(CCCBr)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide?
The InChIKey is NPJPBEUNRMWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br2NO2S/c1-13(7-3-6-11)16(14,15)10-5-2-4-9(12)8-10/h2,4-5,8H,3,6-7H2,1H3.
What are the key properties of 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide?
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide has a molecular weight of 371.09 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 106441720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).