N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C18H21NO4S2 — CID 3152086

IUPACN-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H21NO4S2/c1-14-6-8-18(9-7-14)25(22,23)19(16-5-3-4-15(2)12-16)17-10-11-24(20,21)13-17/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyOESWZKKSSARNOZ-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.69
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 3152086) has the molecular formula C18H21NO4S2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID3152086
Molecular FormulaC18H21NO4S2
Molecular Weight379.50 g/mol
Exact Mass379.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CCS(=O)(=O)C2)cc1
InChIInChI=1S/C18H21NO4S2/c1-14-6-8-18(9-7-14)25(22,23)19(16-5-3-4-15(2)12-16)17-10-11-24(20,21)13-17/h3-9,12,17H,10-11,13H2,1-2H3
InChIKeyOESWZKKSSARNOZ-UHFFFAOYSA-N
XLogP2.69
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide 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-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 51284591
N-(1,1-dioxothiolan-3-yl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46300359
N-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 21206461
N-(1,1-dioxothiolan-3-yl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 21206459
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-4-methylbenzenesulfonamide
CID 7452405
N-[(3S)-1,1-dioxothiolan-3-yl]-N,2,4-trimethylbenzenesulfonamide
CID 129370634
4-bromo-N-(1,1-dioxothiolan-3-yl)-N-methylbenzenesulfonamide
CID 47113368
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(N-ethyl-3-methylanilino)acetamide
CID 109003580
N-cyclopropyl-N-[(3S)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzenesulfonamide
CID 52541859
N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 47130910
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-3-nitrobenzenesulfonamide
CID 7260394
N-[6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113043046

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 3152086) is N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CCS(=O)(=O)C2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is OESWZKKSSARNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S2/c1-14-6-8-18(9-7-14)25(22,23)19(16-5-3-4-15(2)12-16)17-10-11-24(20,21)13-17/h3-9,12,17H,10-11,13H2,1-2H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 379.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 3152086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).