3-bromo-N-methyl-N-propylbenzenesulfonamide

C10H14BrNO2S — CID 60823312

IUPAC3-bromo-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-7-12(2)15(13,14)10-6-4-5-9(11)8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyKPCOINXTDXTWEL-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.48
Rot. Bonds4

About 3-bromo-N-methyl-N-propylbenzenesulfonamide

3-bromo-N-methyl-N-propylbenzenesulfonamide (PubChem CID 60823312) has the molecular formula C10H14BrNO2S and a molecular weight of 292.20 g/mol. Its IUPAC name is 3-bromo-N-methyl-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-methyl-N-propylbenzenesulfonamide
PubChem CID60823312
Molecular FormulaC10H14BrNO2S
Molecular Weight292.20 g/mol
Exact Mass290.99
IUPAC Name3-bromo-N-methyl-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C10H14BrNO2S/c1-3-7-12(2)15(13,14)10-6-4-5-9(11)8-10/h4-6,8H,3,7H2,1-2H3
InChIKeyKPCOINXTDXTWEL-UHFFFAOYSA-N
XLogP2.48
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(2-bromoethyl)-N-methylbenzenesulfonamide
CID 80668985
3-bromo-N-(3-bromopropyl)-N-methylbenzenesulfonamide
CID 106441720
3-bromo-N-[(4-ethylphenyl)methyl]-N-methylbenzenesulfonamide
CID 2551092
3-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60985680
3-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzenesulfonamide
CID 26544458
5-bromo-N-methyl-N-propylpyridine-3-sulfonamide
CID 55207622
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
3-bromo-N-methyl-N-[[(2S)-oxiran-2-yl]methyl]benzenesulfonamide
CID 87253102
2-[(3-bromophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 9356234
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
3-bromo-N-[(2-fluorophenyl)methyl]-N-methylbenzenesulfonamide
CID 7937738
3-[butyl(methyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791217

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-methyl-N-propylbenzenesulfonamide?
The IUPAC name of 3-bromo-N-methyl-N-propylbenzenesulfonamide (CID 60823312) is 3-bromo-N-methyl-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-methyl-N-propylbenzenesulfonamide?
The canonical SMILES for 3-bromo-N-methyl-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-methyl-N-propylbenzenesulfonamide?
The InChIKey is KPCOINXTDXTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2S/c1-3-7-12(2)15(13,14)10-6-4-5-9(11)8-10/h4-6,8H,3,7H2,1-2H3.
What are the key properties of 3-bromo-N-methyl-N-propylbenzenesulfonamide?
3-bromo-N-methyl-N-propylbenzenesulfonamide has a molecular weight of 292.20 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-methyl-N-propylbenzenesulfonamide is sourced from PubChem (CID 60823312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).