N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide

C15H14N2O4S2 — CID 2339850

IUPACN-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(SC)nc2c1
InChIInChI=1S/C15H14N2O4S2/c1-20-13-6-4-3-5-11(13)17-23(18,19)10-7-8-14-12(9-10)16-15(21-14)22-2/h3-9,17H,1-2H3
InChIKeyBVPIPCDNADNUDJ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds5

About N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide

N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide (PubChem CID 2339850) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide
PubChem CID2339850
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC NameN-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2oc(SC)nc2c1
InChIInChI=1S/C15H14N2O4S2/c1-20-13-6-4-3-5-11(13)17-23(18,19)10-7-8-14-12(9-10)16-15(21-14)22-2/h3-9,17H,1-2H3
InChIKeyBVPIPCDNADNUDJ-UHFFFAOYSA-N
XLogP3.36
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide (CID 2339850) is N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2oc(SC)nc2c1.
What is the InChIKey of N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is BVPIPCDNADNUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-20-13-6-4-3-5-11(13)17-23(18,19)10-7-8-14-12(9-10)16-15(21-14)22-2/h3-9,17H,1-2H3.
What are the key properties of N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide?
N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 350.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-methylsulfanyl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 2339850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).