4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide

C15H24BrNO2S — CID 60707695

IUPAC4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H24BrNO2S/c1-4-6-10-17(11-7-5-2)20(18,19)14-8-9-15(16)13(3)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyPBLONRLUQTYLBE-UHFFFAOYSA-N
MW362.33 g/mol
LogP4.35
Rot. Bonds8

About 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide

4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide (PubChem CID 60707695) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
PubChem CID60707695
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide
SMILESCCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C15H24BrNO2S/c1-4-6-10-17(11-7-5-2)20(18,19)14-8-9-15(16)13(3)12-14/h8-9,12H,4-7,10-11H2,1-3H3
InChIKeyPBLONRLUQTYLBE-UHFFFAOYSA-N
XLogP4.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
2-bromo-5-(dibutylsulfamoyl)benzoic acid
CID 20505984
4-bromo-N-butyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 103833721
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzenesulfonamide
CID 106546170
4-bromo-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 54941900
4-bromo-N-butyl-3-fluoro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 103697346
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
4-bromo-3-fluoro-N-hexyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 103834154
2-bromo-5-(dipropylsulfamoyl)benzoic acid
CID 43216890
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-3-methylbenzenesulfonamide
CID 60652378
N-butyl-N-(2-chloroethyl)-4-methylbenzenesulfonamide
CID 63396720
2-[[4-(aminomethyl)-3-methylphenyl]sulfonyl-butylamino]acetamide
CID 106919288

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide (CID 60707695) is 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide is CCCCN(CCCC)S(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide?
The InChIKey is PBLONRLUQTYLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-4-6-10-17(11-7-5-2)20(18,19)14-8-9-15(16)13(3)12-14/h8-9,12H,4-7,10-11H2,1-3H3.
What are the key properties of 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide?
4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide has a molecular weight of 362.33 g/mol, XLogP of 4.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N,N-dibutyl-3-methylbenzenesulfonamide is sourced from PubChem (CID 60707695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).