N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide

C18H23NO3S — CID 60534987

IUPACN-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(C)c1O
InChIInChI=1S/C18H23NO3S/c1-12(2)11-15-6-8-16(9-7-15)23(21,22)19-17-10-5-13(3)18(20)14(17)4/h5-10,12,19-20H,11H2,1-4H3
InChIKeyVIYLEUPQELMBMN-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.01
Rot. Bonds5

About N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide

N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 60534987) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID60534987
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(C)c1O
InChIInChI=1S/C18H23NO3S/c1-12(2)11-15-6-8-16(9-7-15)23(21,22)19-17-10-5-13(3)18(20)14(17)4/h5-10,12,19-20H,11H2,1-4H3
InChIKeyVIYLEUPQELMBMN-UHFFFAOYSA-N
XLogP4.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,4-dimethylphenyl)-4-methylsulfanylbenzenesulfonamide
CID 49188729
N-[4-[(2-methylphenyl)sulfamoyl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 22202709
4-(2-methylpropyl)-N-propan-2-ylbenzenesulfonamide
CID 19681167
N-(2-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773415
4-(2-methylpropyl)-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 17388107
6-chloro-N-(3-hydroxy-2,4-dimethylphenyl)pyridine-3-sulfonamide
CID 47298745
N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 19684296
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 39329194
N-(4-methyl-3-nitrophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22775049
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide (CID 60534987) is N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c(C)c1O.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is VIYLEUPQELMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-12(2)11-15-6-8-16(9-7-15)23(21,22)19-17-10-5-13(3)18(20)14(17)4/h5-10,12,19-20H,11H2,1-4H3.
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 60534987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).