3-bromo-4-chloro-5-methylbenzenesulfonamide

C7H7BrClNO2S — CID 171001910

IUPAC3-bromo-4-chloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(Br)c1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H2,10,11,12)
InChIKeyLFCHBDXCTPVKPN-UHFFFAOYSA-N
MW284.56 g/mol
LogP2.06
Rot. Bonds1

About 3-bromo-4-chloro-5-methylbenzenesulfonamide

3-bromo-4-chloro-5-methylbenzenesulfonamide (PubChem CID 171001910) has the molecular formula C7H7BrClNO2S and a molecular weight of 284.56 g/mol. Its IUPAC name is 3-bromo-4-chloro-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-5-methylbenzenesulfonamide
PubChem CID171001910
Molecular FormulaC7H7BrClNO2S
Molecular Weight284.56 g/mol
Exact Mass282.91
IUPAC Name3-bromo-4-chloro-5-methylbenzenesulfonamide
SMILESCc1cc(S(N)(=O)=O)cc(Br)c1Cl
InChIInChI=1S/C7H7BrClNO2S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H2,10,11,12)
InChIKeyLFCHBDXCTPVKPN-UHFFFAOYSA-N
XLogP2.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.56
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881
3,4-dibromo-5-chlorobenzenesulfonamide
CID 171008956
1-bromo-2,5-dichloro-3-methylbenzene
CID 44891130
4-(4-chloro-3,5-dimethylphenoxy)benzenesulfonamide
CID 43175694
3-chloro-5-methyl-4-nitrobenzenesulfonamide
CID 135743483
3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 60864212
N-(2-chloro-6-methyl-4-sulfamoylphenyl)cyclobutanecarboxamide
CID 66255370
3-bromo-2-chloro-N-cyclobutyl-N-methyl-5-sulfamoylbenzamide
CID 104538212
2-chloro-3-methyl-5-methylsulfonylaniline
CID 45156896
3-bromo-2-chloro-N-(2,2-difluoroethyl)-N-methyl-5-sulfamoylbenzamide
CID 99719134

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-5-methylbenzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-5-methylbenzenesulfonamide (CID 171001910) is 3-bromo-4-chloro-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-5-methylbenzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-5-methylbenzenesulfonamide is Cc1cc(S(N)(=O)=O)cc(Br)c1Cl.
What is the InChIKey of 3-bromo-4-chloro-5-methylbenzenesulfonamide?
The InChIKey is LFCHBDXCTPVKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClNO2S/c1-4-2-5(13(10,11)12)3-6(8)7(4)9/h2-3H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-4-chloro-5-methylbenzenesulfonamide?
3-bromo-4-chloro-5-methylbenzenesulfonamide has a molecular weight of 284.56 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-5-methylbenzenesulfonamide is sourced from PubChem (CID 171001910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).