2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

C16H15N3O3S2 — CID 55350812

IUPAC2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2s1
InChIInChI=1S/C16H15N3O3S2/c1-10-17-14-8-7-11(9-15(14)23-10)18-16(20)12-5-3-4-6-13(12)19-24(2,21)22/h3-9,19H,1-2H3,(H,18,20)
InChIKeyDLOMYJIDUFMQLS-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.23
Rot. Bonds4

About 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide

2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (PubChem CID 55350812) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
PubChem CID55350812
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC Name2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
SMILESCc1nc2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2s1
InChIInChI=1S/C16H15N3O3S2/c1-10-17-14-8-7-11(9-15(14)23-10)18-16(20)12-5-3-4-6-13(12)19-24(2,21)22/h3-9,19H,1-2H3,(H,18,20)
InChIKeyDLOMYJIDUFMQLS-UHFFFAOYSA-N
XLogP3.23
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]benzamide
CID 46291167
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenylbenzamide
CID 3386636
5-(tert-butylsulfamoyl)-2-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 26850641
2,3,4-trifluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 30152613
N-(3-acetamido-4-methoxyphenyl)-2-(methanesulfonamido)benzamide
CID 25484331
2-chloro-4,5-difluoro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 847893
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
3-chloro-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 7915285
2-amino-4-bromo-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 79703749
1-(2-methoxyphenyl)-3-(2-methyl-1,3-benzothiazol-6-yl)urea
CID 8853021
1-(2-chlorophenyl)-3-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]urea
CID 46382418

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The IUPAC name of 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide (CID 55350812) is 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide.
What is the SMILES notation for 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The canonical SMILES for 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is Cc1nc2ccc(NC(=O)c3ccccc3NS(C)(=O)=O)cc2s1.
What is the InChIKey of 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
The InChIKey is DLOMYJIDUFMQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c1-10-17-14-8-7-11(9-15(14)23-10)18-16(20)12-5-3-4-6-13(12)19-24(2,21)22/h3-9,19H,1-2H3,(H,18,20).
What are the key properties of 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide?
2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide is sourced from PubChem (CID 55350812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).