2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide

C12H11ClN2O5S2 — CID 90211629

IUPAC2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide
SMILESCS(=O)c1c(S(C)(=O)=O)ccc(C(=O)Nc2ncco2)c1Cl
InChIInChI=1S/C12H11ClN2O5S2/c1-21(17)10-8(22(2,18)19)4-3-7(9(10)13)11(16)15-12-14-5-6-20-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyYKTWSISGMZFLSZ-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.72
Rot. Bonds4

About 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide

2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide (PubChem CID 90211629) has the molecular formula C12H11ClN2O5S2 and a molecular weight of 362.82 g/mol. Its IUPAC name is 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound Name2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide
PubChem CID90211629
Molecular FormulaC12H11ClN2O5S2
Molecular Weight362.82 g/mol
Exact Mass361.98
IUPAC Name2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide
SMILESCS(=O)c1c(S(C)(=O)=O)ccc(C(=O)Nc2ncco2)c1Cl
InChIInChI=1S/C12H11ClN2O5S2/c1-21(17)10-8(22(2,18)19)4-3-7(9(10)13)11(16)15-12-14-5-6-20-12/h3-6H,1-2H3,(H,14,15,16)
InChIKeyYKTWSISGMZFLSZ-UHFFFAOYSA-N
XLogP1.72
TPSA106.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide?
The IUPAC name of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide (CID 90211629) is 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide?
The canonical SMILES for 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide is CS(=O)c1c(S(C)(=O)=O)ccc(C(=O)Nc2ncco2)c1Cl.
What is the InChIKey of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide?
The InChIKey is YKTWSISGMZFLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O5S2/c1-21(17)10-8(22(2,18)19)4-3-7(9(10)13)11(16)15-12-14-5-6-20-12/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide?
2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide has a molecular weight of 362.82 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methylsulfinyl-4-methylsulfonyl-N-(1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 90211629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).