N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide

C9H11BrClNO2S — CID 103609332

IUPACN-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCCl)ccc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-7-6-8(2-3-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5H2,1H3
InChIKeyNWEGPWVPJLAHMP-UHFFFAOYSA-N
MW312.62 g/mol
LogP2.74
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide

N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide (PubChem CID 103609332) has the molecular formula C9H11BrClNO2S and a molecular weight of 312.62 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
PubChem CID103609332
Molecular FormulaC9H11BrClNO2S
Molecular Weight312.62 g/mol
Exact Mass310.94
IUPAC NameN-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide
SMILESCc1cc(NS(=O)(=O)CCCl)ccc1Br
InChIInChI=1S/C9H11BrClNO2S/c1-7-6-8(2-3-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5H2,1H3
InChIKeyNWEGPWVPJLAHMP-UHFFFAOYSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.62
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3-methylphenyl)-3-hydroxypropane-1-sulfonamide
CID 94717956
N-(4-bromo-3-methylphenyl)-3-(methylamino)propane-1-sulfonamide
CID 106058558
N-(4-bromo-3-methylphenyl)-2-(propylamino)ethanesulfonamide
CID 114141110
N-(4-bromo-3-fluorophenyl)-4-chlorobutane-1-sulfonamide
CID 116816273
4-bromo-3-methyl-N-(2-methylpropylsulfamoyl)aniline
CID 114815397
N-(4-bromo-3-methylphenyl)-2,4,6-trimethylbenzenesulfonamide
CID 1087335
N-(3-amino-4-bromophenyl)-2-methylsulfonylethanesulfonamide
CID 79768205
2-chloro-N-(4-methylsulfanylphenyl)ethanesulfonamide
CID 107650614
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
N-(4-bromo-3-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 22774672
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide (CID 103609332) is N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide is Cc1cc(NS(=O)(=O)CCCl)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide?
The InChIKey is NWEGPWVPJLAHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClNO2S/c1-7-6-8(2-3-9(7)10)12-15(13,14)5-4-11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide?
N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide has a molecular weight of 312.62 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-chloroethanesulfonamide is sourced from PubChem (CID 103609332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).