3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide

C18H16Cl2N2O2S2 — CID 121123429

IUPAC3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C18H16Cl2N2O2S2/c1-11-14(19)8-5-9-17(11)26(23,24)21-10-16-12(2)22-18(25-16)13-6-3-4-7-15(13)20/h3-9,21H,10H2,1-2H3
InChIKeyKUKNSKFCQWVBOS-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.21
Rot. Bonds5

About 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide

3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 121123429) has the molecular formula C18H16Cl2N2O2S2 and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID121123429
Molecular FormulaC18H16Cl2N2O2S2
Molecular Weight427.38 g/mol
Exact Mass426.00
IUPAC Name3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1cccc(Cl)c1C
InChIInChI=1S/C18H16Cl2N2O2S2/c1-11-14(19)8-5-9-17(11)26(23,24)21-10-16-12(2)22-18(25-16)13-6-3-4-7-15(13)20/h3-9,21H,10H2,1-2H3
InChIKeyKUKNSKFCQWVBOS-UHFFFAOYSA-N
XLogP5.21
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide 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-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121937
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123355
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 121123362
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]naphthalene-2-sulfonamide
CID 121123387
5-bromo-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methoxybenzenesulfonamide
CID 121123398
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62402688
[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
CID 22647489
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-propan-2-ylurea
CID 71795664
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
2-methyl-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-nitrobenzenesulfonamide
CID 121121924
3-chloro-2-methyl-N-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzenesulfonamide
CID 53163190
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide (CID 121123429) is 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide is Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1cccc(Cl)c1C.
What is the InChIKey of 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is KUKNSKFCQWVBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S2/c1-11-14(19)8-5-9-17(11)26(23,24)21-10-16-12(2)22-18(25-16)13-6-3-4-7-15(13)20/h3-9,21H,10H2,1-2H3.
What are the key properties of 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide?
3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 427.38 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 121123429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).