2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

C12H10Cl2N2O3S2 — CID 107096096

IUPAC2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2cccc(Cl)c2C)sc1S(=O)(=O)Cl
InChIInChI=1S/C12H10Cl2N2O3S2/c1-6-8(4-3-5-9(6)13)10(17)16-12-15-7(2)11(20-12)21(14,18)19/h3-5H,1-2H3,(H,15,16,17)
InChIKeyPVMHAGDNZQZKAL-UHFFFAOYSA-N
MW365.26 g/mol
LogP3.59
Rot. Bonds3

About 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride

2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (PubChem CID 107096096) has the molecular formula C12H10Cl2N2O3S2 and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.

Molecular Properties

Compound Name2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
PubChem CID107096096
Molecular FormulaC12H10Cl2N2O3S2
Molecular Weight365.26 g/mol
Exact Mass363.95
IUPAC Name2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
SMILESCc1nc(NC(=O)c2cccc(Cl)c2C)sc1S(=O)(=O)Cl
InChIInChI=1S/C12H10Cl2N2O3S2/c1-6-8(4-3-5-9(6)13)10(17)16-12-15-7(2)11(20-12)21(14,18)19/h3-5H,1-2H3,(H,15,16,17)
InChIKeyPVMHAGDNZQZKAL-UHFFFAOYSA-N
XLogP3.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63945041
2-[(2-bromo-4-chlorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 107987091
2-[(4-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946838
4-methyl-2-(1,3-thiazole-4-carbonylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63944847
2-[(2-bromo-5-fluorobenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride
CID 63946023
2-chloro-4-methyl-N-(4-methyl-5-sulfamoyl-1,3-thiazol-2-yl)benzamide
CID 106861734
3-chloro-N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methylbenzamide
CID 107097418
2-chloro-N-(5-chloro-4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 7192536
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-sulfonyl chloride
CID 63947443
N-(3-chloro-2-methylphenyl)-2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxamide
CID 100773126
methyl 2-[(2,3-dimethylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 60594520
3-chloro-2-methyl-N-[5-(1-methylbenzimidazol-2-yl)-1,3-thiazol-2-yl]benzamide
CID 127042532

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The IUPAC name of 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride (CID 107096096) is 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride.
What is the SMILES notation for 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The canonical SMILES for 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is Cc1nc(NC(=O)c2cccc(Cl)c2C)sc1S(=O)(=O)Cl.
What is the InChIKey of 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
The InChIKey is PVMHAGDNZQZKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O3S2/c1-6-8(4-3-5-9(6)13)10(17)16-12-15-7(2)11(20-12)21(14,18)19/h3-5H,1-2H3,(H,15,16,17).
What are the key properties of 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride?
2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride has a molecular weight of 365.26 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylbenzoyl)amino]-4-methyl-1,3-thiazole-5-sulfonyl chloride is sourced from PubChem (CID 107096096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).