N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C12H16N2O4S — CID 110760690

IUPACN-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H16N2O4S/c1-3-4-7-14(2)19(16,17)9-5-6-11-10(8-9)13-12(15)18-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyWAJUPRXVXRBFJN-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.54
Rot. Bonds5

About N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760690) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID110760690
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCCCCN(C)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C12H16N2O4S/c1-3-4-7-14(2)19(16,17)9-5-6-11-10(8-9)13-12(15)18-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,15)
InChIKeyWAJUPRXVXRBFJN-UHFFFAOYSA-N
XLogP1.54
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760655
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-butyl-N,2-dimethyl-1,3-benzoxazole-5-sulfonamide
CID 110760549
N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 131933717
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288023
5-[butyl(methyl)sulfamoyl]-3-methyl-1-benzofuran-2-carboxylic acid
CID 4286540
hexane;5-methyl-3H-1,3-benzoxazol-2-one;molecular hydrogen
CID 143330462
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
4-bromo-N-butyl-N,3-dimethylbenzenesulfonamide
CID 54917653
N-butyl-4-iodo-N-methylbenzenesulfonamide
CID 4992197
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 110760690) is N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is CCCCN(C)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is WAJUPRXVXRBFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-3-4-7-14(2)19(16,17)9-5-6-11-10(8-9)13-12(15)18-11/h5-6,8H,3-4,7H2,1-2H3,(H,13,15).
What are the key properties of N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).