2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

C15H17NO2S2 — CID 2089878

IUPAC2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C15H17NO2S2/c1-11-7-8-15(12(2)9-11)20(17,18)16-13-5-4-6-14(10-13)19-3/h4-10,16H,1-3H3
InChIKeyLJDCOVRRFHAPGK-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.83
Rot. Bonds4

About 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide

2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (PubChem CID 2089878) has the molecular formula C15H17NO2S2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
PubChem CID2089878
Molecular FormulaC15H17NO2S2
Molecular Weight307.44 g/mol
Exact Mass307.07
IUPAC Name2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
SMILESCSc1cccc(NS(=O)(=O)c2ccc(C)cc2C)c1
InChIInChI=1S/C15H17NO2S2/c1-11-7-8-15(12(2)9-11)20(17,18)16-13-5-4-6-14(10-13)19-3/h4-10,16H,1-3H3
InChIKeyLJDCOVRRFHAPGK-UHFFFAOYSA-N
XLogP3.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,5-dimethylphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)benzamide
CID 30684354
3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 28550882
N-[3-(1-hydroxyethyl)phenyl]-2,4-dimethylbenzenesulfonamide
CID 43508604
4-methyl-3-[(3-methylsulfanylphenyl)sulfamoyl]benzoic acid
CID 25335355
3-[(3,4-dimethylphenyl)sulfamoyl]-4-methyl-N-(3-methylsulfanylphenyl)benzamide
CID 126415688
4-ethoxy-3-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2991516
(E)-2-(4-methylphenyl)-N-(3-methylsulfanylphenyl)ethenesulfonamide
CID 90481144
2,4-dimethyl-N-(4-propan-2-ylphenyl)benzenesulfonamide
CID 22773866
4-methyl-N-(3-methylsulfanylphenyl)-3-(phenylsulfamoyl)benzamide
CID 1252501
4-ethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 7594474
4-methoxy-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 836468
N-(6-fluoro-2-pyridinyl)-2,4-dimethylbenzenesulfonamide
CID 104821515

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide (CID 2089878) is 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is CSc1cccc(NS(=O)(=O)c2ccc(C)cc2C)c1.
What is the InChIKey of 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
The InChIKey is LJDCOVRRFHAPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S2/c1-11-7-8-15(12(2)9-11)20(17,18)16-13-5-4-6-14(10-13)19-3/h4-10,16H,1-3H3.
What are the key properties of 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide?
2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide has a molecular weight of 307.44 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(3-methylsulfanylphenyl)benzenesulfonamide is sourced from PubChem (CID 2089878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).