2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide

C14H12N4O4S — CID 60617945

IUPAC2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide
SMILESCc1noc2ncc(S(=O)(=O)Nc3ccccc3C(N)=O)cc12
InChIInChI=1S/C14H12N4O4S/c1-8-11-6-9(7-16-14(11)22-17-8)23(20,21)18-12-5-3-2-4-10(12)13(15)19/h2-7,18H,1H3,(H2,15,19)
InChIKeyODMYTCYYOMSNLW-UHFFFAOYSA-N
MW332.34 g/mol
LogP1.43
Rot. Bonds4

About 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide

2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide (PubChem CID 60617945) has the molecular formula C14H12N4O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide
PubChem CID60617945
Molecular FormulaC14H12N4O4S
Molecular Weight332.34 g/mol
Exact Mass332.06
IUPAC Name2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide
SMILESCc1noc2ncc(S(=O)(=O)Nc3ccccc3C(N)=O)cc12
InChIInChI=1S/C14H12N4O4S/c1-8-11-6-9(7-16-14(11)22-17-8)23(20,21)18-12-5-3-2-4-10(12)13(15)19/h2-7,18H,1H3,(H2,15,19)
InChIKeyODMYTCYYOMSNLW-UHFFFAOYSA-N
XLogP1.43
TPSA128.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[6-(aminomethyl)-3-pyridinyl]sulfonylamino]benzamide
CID 114613186
2-[(1,3-dimethylpyrazol-4-yl)sulfonylamino]benzamide
CID 17371559
N-[(3-aminophenyl)methyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 86815657
2-[(3,4-diethoxyphenyl)sulfonylamino]benzamide
CID 9055880
methyl 4-[(2-carbamoylphenyl)sulfamoyl]benzoate
CID 17485240
2-[(5-bromo-2-methylphenyl)sulfonylamino]benzamide
CID 17412326
2-[(6-ethoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824630
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoic acid
CID 64607834
methyl 2-[(5,6-dichloro-3-pyridinyl)sulfonylamino]benzoate
CID 4730940
2-[(6-propoxynaphthalen-2-yl)sulfonylamino]benzamide
CID 91824604
2-[(4-butylphenyl)sulfonylamino]benzamide
CID 3869387

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide?
The IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide (CID 60617945) is 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide.
What is the SMILES notation for 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide?
The canonical SMILES for 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide is Cc1noc2ncc(S(=O)(=O)Nc3ccccc3C(N)=O)cc12.
What is the InChIKey of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide?
The InChIKey is ODMYTCYYOMSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O4S/c1-8-11-6-9(7-16-14(11)22-17-8)23(20,21)18-12-5-3-2-4-10(12)13(15)19/h2-7,18H,1H3,(H2,15,19).
What are the key properties of 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide?
2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide has a molecular weight of 332.34 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]benzamide is sourced from PubChem (CID 60617945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).