N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide

C15H17NO3S2 — CID 49188729

IUPACN-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C15H17NO3S2/c1-10-4-9-14(11(2)15(10)17)16-21(18,19)13-7-5-12(20-3)6-8-13/h4-9,16-17H,1-3H3
InChIKeySIAFHWRMTCDEDW-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.53
Rot. Bonds4

About N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide

N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide (PubChem CID 49188729) has the molecular formula C15H17NO3S2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
PubChem CID49188729
Molecular FormulaC15H17NO3S2
Molecular Weight323.44 g/mol
Exact Mass323.06
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
SMILESCSc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2C)cc1
InChIInChI=1S/C15H17NO3S2/c1-10-4-9-14(11(2)15(10)17)16-21(18,19)13-7-5-12(20-3)6-8-13/h4-9,16-17H,1-3H3
InChIKeySIAFHWRMTCDEDW-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 60534987
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
N-(2,5-dimethylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 2978852
N-(3-fluoro-2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 169372704
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
4-[(2,3-dimethylphenyl)sulfamoyl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 60574259
2,4-dibromo-N-(3-hydroxy-2,4-dimethylphenyl)benzenesulfonamide
CID 61061862
N-(3-chloro-4-methylphenyl)-4-[(4-methylsulfanylphenyl)sulfonylamino]benzenesulfonamide
CID 126416212
N-(3-hydroxy-2,4-dimethylphenyl)-1-phenylpyrazole-4-sulfonamide
CID 51093676
4-[(4-methylsulfanylphenyl)sulfonylamino]-N-phenylbenzenesulfonamide
CID 1249295
4-methyl-N-[4-methylsulfanyl-2-(2,2,2-trifluoroacetyl)phenyl]benzenesulfonamide
CID 168865490
4-hydrazinyl-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 43454843

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide (CID 49188729) is N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide is CSc1ccc(S(=O)(=O)Nc2ccc(C)c(O)c2C)cc1.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
The InChIKey is SIAFHWRMTCDEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S2/c1-10-4-9-14(11(2)15(10)17)16-21(18,19)13-7-5-12(20-3)6-8-13/h4-9,16-17H,1-3H3.
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide?
N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide has a molecular weight of 323.44 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide is sourced from PubChem (CID 49188729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).