2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide

C17H17N3O4S3 — CID 175544584

IUPAC2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)ccc1S(N)(=O)=O
InChIInChI=1S/C17H17N3O4S3/c1-11-9-12(3-8-16(11)27(18,23)24)15-10-25-17(20-15)19-13-4-6-14(7-5-13)26(2,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,23,24)
InChIKeySHKZNCRMPQPFCU-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.91
Rot. Bonds5

About 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide

2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 175544584) has the molecular formula C17H17N3O4S3 and a molecular weight of 423.54 g/mol. Its IUPAC name is 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID175544584
Molecular FormulaC17H17N3O4S3
Molecular Weight423.54 g/mol
Exact Mass423.04
IUPAC Name2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)ccc1S(N)(=O)=O
InChIInChI=1S/C17H17N3O4S3/c1-11-9-12(3-8-16(11)27(18,23)24)15-10-25-17(20-15)19-13-4-6-14(7-5-13)26(2,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,23,24)
InChIKeySHKZNCRMPQPFCU-UHFFFAOYSA-N
XLogP2.91
TPSA119.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]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

2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544581
N-(4-methoxyphenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 17398323
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 164587687
N-(3-bromophenyl)-4-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
CID 24505641
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
4-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 90730964
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
4-methyl-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504080
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]methanesulfonamide
CID 9330073
4-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 1075886

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide (CID 175544584) is 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide is Cc1cc(-c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is SHKZNCRMPQPFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S3/c1-11-9-12(3-8-16(11)27(18,23)24)15-10-25-17(20-15)19-13-4-6-14(7-5-13)26(2,21)22/h3-10H,1-2H3,(H,19,20)(H2,18,23,24).
What are the key properties of 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide?
2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 423.54 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 175544584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).