2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide

C14H16ClN3O3S2 — CID 10215781

IUPAC2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C)C)s1
InChIInChI=1S/C14H16ClN3O3S2/c1-9-11(15)5-4-6-12(9)23(20,21)17-14-16-8-10(22-14)7-13(19)18(2)3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyDBVGYCJVXGEXTD-UHFFFAOYSA-N
MW373.89 g/mol
LogP2.54
Rot. Bonds5

About 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide (PubChem CID 10215781) has the molecular formula C14H16ClN3O3S2 and a molecular weight of 373.89 g/mol. Its IUPAC name is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide
PubChem CID10215781
Molecular FormulaC14H16ClN3O3S2
Molecular Weight373.89 g/mol
Exact Mass373.03
IUPAC Name2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C)C)s1
InChIInChI=1S/C14H16ClN3O3S2/c1-9-11(15)5-4-6-12(9)23(20,21)17-14-16-8-10(22-14)7-13(19)18(2)3/h4-6,8H,7H2,1-3H3,(H,16,17)
InChIKeyDBVGYCJVXGEXTD-UHFFFAOYSA-N
XLogP2.54
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-2-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 168291771
3-chloro-N-[5-[2-(2-fluoroethoxy)ethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10237339
3-chloro-2-methyl-N-[5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 10309921
3-chloro-2-methyl-N-[5-[2-(3-oxomorpholin-4-yl)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 11486846
3-chloro-2-methyl-N-[5-[2-(trifluoromethylsulfonylamino)ethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 21980173
2-[2-[(2,4-difluoro-6-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-di(propan-2-yl)acetamide
CID 88027962
N-[5-[2-amino-2-(trifluoromethylsulfonyl)ethyl]-1,3-thiazol-2-yl]-3-chloro-2-methylbenzenesulfonamide
CID 90972048
3-chloro-2-methyl-N-[5-(2-morpholin-4-ylethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 9822380
3-chloro-N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10125836
3-chloro-N-[5-(2-ethoxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 10126154
N,N-diethyl-2-[2-[(4-propylphenyl)sulfonylamino]-1,3-thiazol-5-yl]acetamide
CID 10126646
2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 10127719

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide (CID 10215781) is 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1ncc(CC(=O)N(C)C)s1.
What is the InChIKey of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide?
The InChIKey is DBVGYCJVXGEXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3S2/c1-9-11(15)5-4-6-12(9)23(20,21)17-14-16-8-10(22-14)7-13(19)18(2)3/h4-6,8H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide?
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide has a molecular weight of 373.89 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 10215781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).