N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide

C16H19NO3S — CID 38868903

IUPACN-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1C
InChIInChI=1S/C16H19NO3S/c1-13-8-9-16(12-14(13)2)21(19,20)17(10-11-18)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyVKUGLOOUNGKVLE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.49
Rot. Bonds5

About N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide

N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 38868903) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
PubChem CID38868903
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC NameN-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1C
InChIInChI=1S/C16H19NO3S/c1-13-8-9-16(12-14(13)2)21(19,20)17(10-11-18)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3
InChIKeyVKUGLOOUNGKVLE-UHFFFAOYSA-N
XLogP2.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 60604204
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
2-fluoro-N-(2-hydroxyethyl)-4-methyl-N-phenylbenzenesulfonamide
CID 111104648
N-butyl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30269196
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30210794
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 90570380
(3,4-dimethylphenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2683510
N-benzhydryl-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30276576
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2889961

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide (CID 38868903) is N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1C.
What is the InChIKey of N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is VKUGLOOUNGKVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-13-8-9-16(12-14(13)2)21(19,20)17(10-11-18)15-6-4-3-5-7-15/h3-9,12,18H,10-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide?
N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 38868903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).