2,5-dibromo-N-butyl-N-methylbenzenesulfonamide

C11H15Br2NO2S — CID 43845506

IUPAC2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-3-4-7-14(2)17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQCHRPPWXSYLSCP-UHFFFAOYSA-N
MW385.12 g/mol
LogP3.63
Rot. Bonds5

About 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide

2,5-dibromo-N-butyl-N-methylbenzenesulfonamide (PubChem CID 43845506) has the molecular formula C11H15Br2NO2S and a molecular weight of 385.12 g/mol. Its IUPAC name is 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
PubChem CID43845506
Molecular FormulaC11H15Br2NO2S
Molecular Weight385.12 g/mol
Exact Mass382.92
IUPAC Name2,5-dibromo-N-butyl-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(Br)ccc1Br
InChIInChI=1S/C11H15Br2NO2S/c1-3-4-7-14(2)17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyQCHRPPWXSYLSCP-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.12
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-2,5-dibromo-N-methylbenzenesulfonamide
CID 113285756
2,5-dibromo-N-[2-(dimethylamino)ethyl]-N-methylbenzenesulfonamide
CID 63700203
5-bromo-N-butyl-N-methyl-2-nitrobenzenesulfonamide
CID 54902614
4-bromo-2-ethyl-N-methyl-N-pentylbenzenesulfonamide
CID 3592900
3-[(2,5-dibromophenyl)sulfonyl-methylamino]propanethioamide
CID 43120155
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
5-bromo-N-butyl-2-chloro-N-methylpyridine-3-sulfonamide
CID 61060720
2,4-dibromo-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062460
2,4-dibromo-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 47305772
5-bromo-N-butyl-2-hydrazinyl-N-methylpyridine-3-sulfonamide
CID 61301233
3-bromo-N-butyl-5-(chloromethyl)-N,2-dimethylbenzenesulfonamide
CID 81488575
2,5-dibromo-N-methyl-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 30328697

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide (CID 43845506) is 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(Br)ccc1Br.
What is the InChIKey of 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide?
The InChIKey is QCHRPPWXSYLSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br2NO2S/c1-3-4-7-14(2)17(15,16)11-8-9(12)5-6-10(11)13/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide?
2,5-dibromo-N-butyl-N-methylbenzenesulfonamide has a molecular weight of 385.12 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-butyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 43845506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).