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

C18H17ClN2O2S2 — CID 121121937

IUPAC2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccccc2Cl)s1
InChIInChI=1S/C18H17ClN2O2S2/c1-12-7-3-4-8-14(12)18-21-13(2)16(24-18)11-20-25(22,23)17-10-6-5-9-15(17)19/h3-10,20H,11H2,1-2H3
InChIKeyIUXFHQHRSAANJU-UHFFFAOYSA-N
MW392.93 g/mol
LogP4.56
Rot. Bonds5

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

2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide (PubChem CID 121121937) has the molecular formula C18H17ClN2O2S2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
PubChem CID121121937
Molecular FormulaC18H17ClN2O2S2
Molecular Weight392.93 g/mol
Exact Mass392.04
IUPAC Name2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
SMILESCc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccccc2Cl)s1
InChIInChI=1S/C18H17ClN2O2S2/c1-12-7-3-4-8-14(12)18-21-13(2)16(24-18)11-20-25(22,23)17-10-6-5-9-15(17)19/h3-10,20H,11H2,1-2H3
InChIKeyIUXFHQHRSAANJU-UHFFFAOYSA-N
XLogP4.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylbenzenesulfonamide
CID 121123429
4-bromo-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121916
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3,4-dimethylbenzenesulfonamide
CID 121123355
2-methyl-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-5-nitrobenzenesulfonamide
CID 121121924
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-methoxybenzenesulfonamide
CID 121123362
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-4-propylbenzenesulfonamide
CID 121121976
3,4-difluoro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121985
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
4-butoxy-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide
CID 121121906
N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 121121901
1-(3-chloro-2-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547311

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide (CID 121121937) is 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide is Cc1ccccc1-c1nc(C)c(CNS(=O)(=O)c2ccccc2Cl)s1.
What is the InChIKey of 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
The InChIKey is IUXFHQHRSAANJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2S2/c1-12-7-3-4-8-14(12)18-21-13(2)16(24-18)11-20-25(22,23)17-10-6-5-9-15(17)19/h3-10,20H,11H2,1-2H3.
What are the key properties of 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide?
2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide has a molecular weight of 392.93 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 121121937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).