4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

C14H20BrNO3S — CID 103990999

IUPAC4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCCCO2)ccc1Br
InChIInChI=1S/C14H20BrNO3S/c1-11-10-13(5-6-14(11)15)20(17,18)16-8-7-12-4-2-3-9-19-12/h5-6,10,12,16H,2-4,7-9H2,1H3
InChIKeyQSJZBABEDPQAPG-UHFFFAOYSA-N
MW362.29 g/mol
LogP3.00
Rot. Bonds5

About 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide

4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (PubChem CID 103990999) has the molecular formula C14H20BrNO3S and a molecular weight of 362.29 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
PubChem CID103990999
Molecular FormulaC14H20BrNO3S
Molecular Weight362.29 g/mol
Exact Mass361.03
IUPAC Name4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2CCCCO2)ccc1Br
InChIInChI=1S/C14H20BrNO3S/c1-11-10-13(5-6-14(11)15)20(17,18)16-8-7-12-4-2-3-9-19-12/h5-6,10,12,16H,2-4,7-9H2,1H3
InChIKeyQSJZBABEDPQAPG-UHFFFAOYSA-N
XLogP3.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dibromo-4-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990940
2-bromo-5-(hydroxymethyl)-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 106014412
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958224
4-bromo-3-methyl-N-[2-[(3S)-pyrrolidin-3-yl]ethyl]benzenesulfonamide
CID 98571467
2-[(3-bromo-4-methylphenyl)sulfonylmethyl]oxane
CID 145425719
4-bromo-3-methyl-N-propylbenzenesulfonamide
CID 2439945
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
4-cyano-2-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990968

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide (CID 103990999) is 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NCCC2CCCCO2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
The InChIKey is QSJZBABEDPQAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO3S/c1-11-10-13(5-6-14(11)15)20(17,18)16-8-7-12-4-2-3-9-19-12/h5-6,10,12,16H,2-4,7-9H2,1H3.
What are the key properties of 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide?
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide has a molecular weight of 362.29 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103990999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).