2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide

C13H16ClN3O2S2 — CID 115376859

IUPAC2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(Cl)nc2C)cc1N(C)C
InChIInChI=1S/C13H16ClN3O2S2/c1-8-5-6-10(7-11(8)17(3)4)16-21(18,19)12-9(2)15-13(14)20-12/h5-7,16H,1-4H3
InChIKeyZVJKTBSRYFNBME-UHFFFAOYSA-N
MW345.88 g/mol
LogP3.28
Rot. Bonds4

About 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide

2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide (PubChem CID 115376859) has the molecular formula C13H16ClN3O2S2 and a molecular weight of 345.88 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
PubChem CID115376859
Molecular FormulaC13H16ClN3O2S2
Molecular Weight345.88 g/mol
Exact Mass345.04
IUPAC Name2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2sc(Cl)nc2C)cc1N(C)C
InChIInChI=1S/C13H16ClN3O2S2/c1-8-5-6-10(7-11(8)17(3)4)16-21(18,19)12-9(2)15-13(14)20-12/h5-7,16H,1-4H3
InChIKeyZVJKTBSRYFNBME-UHFFFAOYSA-N
XLogP3.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-methyl-N-(2-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 79240768
2-chloro-4-methyl-N-(4-propan-2-ylphenyl)-1,3-thiazole-5-sulfonamide
CID 43415353
2-chloro-N-(4-chloro-3-nitrophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61051495
2-chloro-N-(2,6-dichloro-3-methylphenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 43456130
2-chloro-N-[4-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 43415373
N-[3-(dimethylamino)-4-methylphenyl]-4-methylbenzenesulfonamide
CID 169371894
2-chloro-N-(2,6-dichlorophenyl)-4-methyl-1,3-thiazole-5-sulfonamide
CID 61053536
2-(dimethylamino)-1-methyl-4-(sulfamoylamino)benzene
CID 112573869
1-chloro-N-[3-(dimethylamino)-4-methylphenyl]methanesulfonamide
CID 115379001
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355
N-(5-bromo-2-chlorophenyl)-2-chloro-4-methyl-1,3-thiazole-5-sulfonamide
CID 62908053
2-chloro-4-methyl-N-(3-methyl-4-pyridinyl)-1,3-thiazole-5-sulfonamide
CID 55233131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide (CID 115376859) is 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2sc(Cl)nc2C)cc1N(C)C.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
The InChIKey is ZVJKTBSRYFNBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2S2/c1-8-5-6-10(7-11(8)17(3)4)16-21(18,19)12-9(2)15-13(14)20-12/h5-7,16H,1-4H3.
What are the key properties of 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide?
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide has a molecular weight of 345.88 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-4-methyl-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 115376859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).