1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide

C16H13N3O3S2 — CID 90624530

IUPAC1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)Cc3noc4ccccc34)sc2c1
InChIInChI=1S/C16H13N3O3S2/c1-10-6-7-12-15(8-10)23-16(17-12)19-24(20,21)9-13-11-4-2-3-5-14(11)22-18-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyOOGPYORRJGCBPD-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.69
Rot. Bonds4

About 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide (PubChem CID 90624530) has the molecular formula C16H13N3O3S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
PubChem CID90624530
Molecular FormulaC16H13N3O3S2
Molecular Weight359.43 g/mol
Exact Mass359.04
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCc1ccc2nc(NS(=O)(=O)Cc3noc4ccccc34)sc2c1
InChIInChI=1S/C16H13N3O3S2/c1-10-6-7-12-15(8-10)23-16(17-12)19-24(20,21)9-13-11-4-2-3-5-14(11)22-18-13/h2-8H,9H2,1H3,(H,17,19)
InChIKeyOOGPYORRJGCBPD-UHFFFAOYSA-N
XLogP3.69
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 90624573
1-(1,2-benzoxazol-3-yl)-N-(3,5-dimethoxyphenyl)methanesulfonamide
CID 90624516
1-(1,2-benzoxazol-3-yl)-N-(4-methylsulfonylphenyl)methanesulfonamide
CID 90624669
1-(1,2-benzoxazol-3-yl)-N-ethylmethanesulfonamide;ethane
CID 144673526
1-(1,2-benzoxazol-3-yl)-N-butylmethanesulfonamide
CID 90624393
1-(1,2-benzoxazol-3-yl)-N-[1-(2,4-dimethylphenyl)propan-2-yl]methanesulfonamide
CID 167944257
1-(1,2-benzoxazol-3-yl)-N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)methanesulfonamide
CID 122356741
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 71894065
2-(1,2-benzoxazol-3-yl)-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 35533618
1-(1,2-benzoxazol-3-yl)-N-(4-fluorophenyl)methanesulfonamide
CID 90624437
2-(2-methoxyethoxy)-N-(6-methyl-1,3-benzothiazol-2-yl)ethanesulfonamide
CID 110676125

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide (CID 90624530) is 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide is Cc1ccc2nc(NS(=O)(=O)Cc3noc4ccccc34)sc2c1.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is OOGPYORRJGCBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3S2/c1-10-6-7-12-15(8-10)23-16(17-12)19-24(20,21)9-13-11-4-2-3-5-14(11)22-18-13/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 359.43 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-3-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 90624530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).