3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane

C19H22N2O2S2 — CID 90842938

IUPAC3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
SMILESCC.Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C17H16N2O2S2.C2H6/c1-12-8-9-15(10-13(12)2)23(20,21)19-17-18-16(11-22-17)14-6-4-3-5-7-14;1-2/h3-11H,1-2H3,(H,18,19);1-2H3
InChIKeyCIVWHDDTSMEZAG-UHFFFAOYSA-N
MW374.53 g/mol
LogP5.25
Rot. Bonds4

About 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane

3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane (PubChem CID 90842938) has the molecular formula C19H22N2O2S2 and a molecular weight of 374.53 g/mol. Its IUPAC name is 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane.

Molecular Properties

Compound Name3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
PubChem CID90842938
Molecular FormulaC19H22N2O2S2
Molecular Weight374.53 g/mol
Exact Mass374.11
IUPAC Name3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane
SMILESCC.Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C
InChIInChI=1S/C17H16N2O2S2.C2H6/c1-12-8-9-15(10-13(12)2)23(20,21)19-17-18-16(11-22-17)14-6-4-3-5-7-14;1-2/h3-11H,1-2H3,(H,18,19);1-2H3
InChIKeyCIVWHDDTSMEZAG-UHFFFAOYSA-N
XLogP5.25
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

Analyze 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane 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

3,4-dimethyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 110446641
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine;ethane
CID 91283216
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzenesulfonamide
CID 19203685
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 43853538
2-oxo-N-(4-phenyl-1,3-thiazol-2-yl)-1,3-dihydroindole-5-sulfonamide
CID 9055823
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5234678
4-bromo-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 1359200
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 7510361
2-(dimethylsulfamoylamino)-4-phenyl-1,3-thiazole
CID 18870688
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane?
The IUPAC name of 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane (CID 90842938) is 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane.
What is the SMILES notation for 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane?
The canonical SMILES for 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane is CC.Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane?
The InChIKey is CIVWHDDTSMEZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2.C2H6/c1-12-8-9-15(10-13(12)2)23(20,21)19-17-18-16(11-22-17)14-6-4-3-5-7-14;1-2/h3-11H,1-2H3,(H,18,19);1-2H3.
What are the key properties of 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane?
3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane has a molecular weight of 374.53 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide;ethane is sourced from PubChem (CID 90842938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).