N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide

C16H17N3O4S — CID 66797855

IUPACN-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cncc(-c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C16H17N3O4S/c1-10(2)24(21,22)18-13-6-12(8-17-9-13)11-4-5-14-15(7-11)23-16(20)19(14)3/h4-10,18H,1-3H3
InChIKeyOCLNNSFXFWWVBP-UHFFFAOYSA-N
MW347.40 g/mol
LogP2.34
Rot. Bonds4

About N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide

N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide (PubChem CID 66797855) has the molecular formula C16H17N3O4S and a molecular weight of 347.40 g/mol. Its IUPAC name is N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide
PubChem CID66797855
Molecular FormulaC16H17N3O4S
Molecular Weight347.40 g/mol
Exact Mass347.09
IUPAC NameN-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1cncc(-c2ccc3c(c2)oc(=O)n3C)c1
InChIInChI=1S/C16H17N3O4S/c1-10(2)24(21,22)18-13-6-12(8-17-9-13)11-4-5-14-15(7-11)23-16(20)19(14)3/h4-10,18H,1-3H3
InChIKeyOCLNNSFXFWWVBP-UHFFFAOYSA-N
XLogP2.34
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide (CID 66797855) is N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1cncc(-c2ccc3c(c2)oc(=O)n3C)c1.
What is the InChIKey of N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is OCLNNSFXFWWVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4S/c1-10(2)24(21,22)18-13-6-12(8-17-9-13)11-4-5-14-15(7-11)23-16(20)19(14)3/h4-10,18H,1-3H3.
What are the key properties of N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide?
N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 347.40 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 66797855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).