N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide

C14H13N3O4S — CID 110724834

IUPACN-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H13N3O4S/c1-17(9-10-4-6-15-7-5-10)22(19,20)11-2-3-12-13(8-11)21-14(18)16-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyHGCQGJDHSNJYTK-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.34
Rot. Bonds4

About N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide

N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 110724834) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID110724834
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC NameN-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESCN(Cc1ccncc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H13N3O4S/c1-17(9-10-4-6-15-7-5-10)22(19,20)11-2-3-12-13(8-11)21-14(18)16-12/h2-8H,9H2,1H3,(H,16,18)
InChIKeyHGCQGJDHSNJYTK-UHFFFAOYSA-N
XLogP1.34
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288023
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110663726
N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 131933717
3-[benzyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]propanoic acid
CID 45328014
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
3-chloro-4-(hydroxymethyl)-N-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 107090629
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
N,1-dimethyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-indole-5-sulfonamide
CID 110724844
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]acetamide
CID 20949424
2-oxo-N-(oxomethylidene)-3H-1,3-benzoxazole-6-sulfonamide
CID 83968536
N-[(3,4-dimethoxyphenyl)methyl]-N-(furan-2-ylmethyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 2002479

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide (CID 110724834) is N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide is CN(Cc1ccncc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HGCQGJDHSNJYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-17(9-10-4-6-15-7-5-10)22(19,20)11-2-3-12-13(8-11)21-14(18)16-12/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide?
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 319.34 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 110724834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).