N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide

C16H19NO3S — CID 43507393

IUPACN-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)O)cc2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-4-9-16(12(2)10-11)17-21(19,20)15-7-5-14(6-8-15)13(3)18/h4-10,13,17-18H,1-3H3
InChIKeyUOTQDFXXTDUCKL-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.16
Rot. Bonds4

About N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide

N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 43507393) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
PubChem CID43507393
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(C)O)cc2)c(C)c1
InChIInChI=1S/C16H19NO3S/c1-11-4-9-16(12(2)10-11)17-21(19,20)15-7-5-14(6-8-15)13(3)18/h4-10,13,17-18H,1-3H3
InChIKeyUOTQDFXXTDUCKL-UHFFFAOYSA-N
XLogP3.16
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 7573896
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(4-fluoro-2-iodophenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 79760758
N-(4,6-dimethylpyrimidin-2-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507234
N-[1-(3,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 132670931
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methylphenoxy)propanamide
CID 2979779
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide (CID 43507393) is N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(C(C)O)cc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is UOTQDFXXTDUCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-4-9-16(12(2)10-11)17-21(19,20)15-7-5-14(6-8-15)13(3)18/h4-10,13,17-18H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide?
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 43507393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).