5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

C12H12ClN3O3S2 — CID 49195493

IUPAC5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)s1
InChIInChI=1S/C12H12ClN3O3S2/c1-7-6-14-12(20-7)15-11(17)9-5-8(13)3-4-10(9)16-21(2,18)19/h3-6,16H,1-2H3,(H,14,15,17)
InChIKeyZQDJBYVBDMQIFD-UHFFFAOYSA-N
MW345.83 g/mol
LogP2.73
Rot. Bonds4

About 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide

5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (PubChem CID 49195493) has the molecular formula C12H12ClN3O3S2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
PubChem CID49195493
Molecular FormulaC12H12ClN3O3S2
Molecular Weight345.83 g/mol
Exact Mass345.00
IUPAC Name5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
SMILESCc1cnc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)s1
InChIInChI=1S/C12H12ClN3O3S2/c1-7-6-14-12(20-7)15-11(17)9-5-8(13)3-4-10(9)16-21(2,18)19/h3-6,16H,1-2H3,(H,14,15,17)
InChIKeyZQDJBYVBDMQIFD-UHFFFAOYSA-N
XLogP2.73
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methanesulfonamido)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 51097784
5-chloro-2-(methanesulfonamido)-N-(3-methylphenyl)benzamide
CID 49191937
5-chloro-2-fluoro-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]benzamide
CID 87008668
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
2-chloro-N-(5-methyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107021003
2-(2,4-dichlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 4852969
2-fluoro-4-methyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 79770175
methyl 5-chloro-2-(methanesulfonamido)benzoate
CID 18350480
2-chloro-5-(diethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2547825
4-bromo-2-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 47435879
2-[(2,4-dichlorophenyl)methoxy]-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2461029
5-chloro-N-(3-ethylphenyl)-2-(methanesulfonamido)benzamide
CID 60606334

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide (CID 49195493) is 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is Cc1cnc(NC(=O)c2cc(Cl)ccc2NS(C)(=O)=O)s1.
What is the InChIKey of 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
The InChIKey is ZQDJBYVBDMQIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O3S2/c1-7-6-14-12(20-7)15-11(17)9-5-8(13)3-4-10(9)16-21(2,18)19/h3-6,16H,1-2H3,(H,14,15,17).
What are the key properties of 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide?
5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide has a molecular weight of 345.83 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(methanesulfonamido)-N-(5-methyl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 49195493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).