N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C12H10N4O4S — CID 146024943

IUPACN-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)n1
InChIInChI=1S/C12H10N4O4S/c1-7-4-5-13-11(14-7)16-21(18,19)8-2-3-10-9(6-8)15-12(17)20-10/h2-6H,1H3,(H,15,17)(H,13,14,16)
InChIKeyAIKRJTOCZJAKBL-UHFFFAOYSA-N
MW306.30 g/mol
LogP1.02
Rot. Bonds3

About N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 146024943) has the molecular formula C12H10N4O4S and a molecular weight of 306.30 g/mol. Its IUPAC name is N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID146024943
Molecular FormulaC12H10N4O4S
Molecular Weight306.30 g/mol
Exact Mass306.04
IUPAC NameN-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)n1
InChIInChI=1S/C12H10N4O4S/c1-7-4-5-13-11(14-7)16-21(18,19)8-2-3-10-9(6-8)15-12(17)20-10/h2-6H,1H3,(H,15,17)(H,13,14,16)
InChIKeyAIKRJTOCZJAKBL-UHFFFAOYSA-N
XLogP1.02
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122316514
N-(2,6-difluorophenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760759
2-chloro-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyridine-4-sulfonamide
CID 61051650
N-(2-ethoxyphenyl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760726
4-chloro-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 6465342
4-amino-N-(4-methylpyrimidin-2-yl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-sulfonamide
CID 71312514
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
4-ethyl-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
CID 17377245
N-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122317979
2-oxo-N-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-3H-1,3-benzoxazole-5-sulfonamide
CID 122353268
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 122352971

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 146024943) is N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)n1.
What is the InChIKey of N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is AIKRJTOCZJAKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O4S/c1-7-4-5-13-11(14-7)16-21(18,19)8-2-3-10-9(6-8)15-12(17)20-10/h2-6H,1H3,(H,15,17)(H,13,14,16).
What are the key properties of N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 306.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpyrimidin-2-yl)-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 146024943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).