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

C11H10Cl2N2O2S2 — CID 47137013

IUPAC2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2N2O2S2/c1-7-6-18-11(15-7)5-14-19(16,17)10-4-8(12)2-3-9(10)13/h2-4,6,14H,5H2,1H3
InChIKeyHQJNLZLZYCQXEF-UHFFFAOYSA-N
MW337.25 g/mol
LogP3.24
Rot. Bonds4

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

2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (PubChem CID 47137013) has the molecular formula C11H10Cl2N2O2S2 and a molecular weight of 337.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
PubChem CID47137013
Molecular FormulaC11H10Cl2N2O2S2
Molecular Weight337.25 g/mol
Exact Mass335.96
IUPAC Name2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
SMILESCc1csc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H10Cl2N2O2S2/c1-7-6-18-11(15-7)5-14-19(16,17)10-4-8(12)2-3-9(10)13/h2-4,6,14H,5H2,1H3
InChIKeyHQJNLZLZYCQXEF-UHFFFAOYSA-N
XLogP3.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 61044081
4-amino-2-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126624
5-amino-2-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61126239
2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 107089983
3-fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methylsulfamoyl]benzoic acid
CID 79177671
2,5-dichloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzenesulfonamide
CID 91967648
6-amino-5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 64601874
5-chloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64608654
4-amino-2-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 61127020
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
3-(aminomethyl)-4-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 81450678
2,5-dichloro-N-[(2,5-dimethylfuran-3-yl)methyl]benzenesulfonamide
CID 86952203

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide (CID 47137013) is 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is Cc1csc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
The InChIKey is HQJNLZLZYCQXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2S2/c1-7-6-18-11(15-7)5-14-19(16,17)10-4-8(12)2-3-9(10)13/h2-4,6,14H,5H2,1H3.
What are the key properties of 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide?
2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide has a molecular weight of 337.25 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 47137013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).