3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C10H8Cl2N2O2S2 — CID 25047855

IUPAC3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H8Cl2N2O2S2/c1-6-5-17-10(13-6)14-18(15,16)9-3-7(11)2-8(12)4-9/h2-5H,1H3,(H,13,14)
InChIKeyPOBIQYOERIRANJ-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.56
Rot. Bonds3

About 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 25047855) has the molecular formula C10H8Cl2N2O2S2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID25047855
Molecular FormulaC10H8Cl2N2O2S2
Molecular Weight323.23 g/mol
Exact Mass321.94
IUPAC Name3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C10H8Cl2N2O2S2/c1-6-5-17-10(13-6)14-18(15,16)9-3-7(11)2-8(12)4-9/h2-5H,1H3,(H,13,14)
InChIKeyPOBIQYOERIRANJ-UHFFFAOYSA-N
XLogP3.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-methyl-1,3-thiazol-2-yl)pyrimidine-5-sulfonamide
CID 43456367
4-hydroxy-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 43135540
N-(4-methyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 74227200
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)-4-propan-2-yloxybenzenesulfonamide
CID 110758289
2-fluoro-3-methyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzoic acid
CID 81426344
3-amino-4-bromo-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 115328636
2-fluoro-5-[(4-methyl-1,3-thiazol-2-yl)sulfamoyl]benzenecarbothioamide
CID 63288690
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzenesulfonamide
CID 3820035
3-(1-hydroxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60874194
2-amino-4,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 29041434
N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 60650358
3-chloro-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazolo[1,5-a]pyrimidine-6-sulfonamide
CID 75396386

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 25047855) is 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is POBIQYOERIRANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2S2/c1-6-5-17-10(13-6)14-18(15,16)9-3-7(11)2-8(12)4-9/h2-5H,1H3,(H,13,14).
What are the key properties of 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 323.23 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25047855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).