N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide

C12H16N2O4S — CID 110778091

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H16N2O4S/c1-2-3-6-19(16,17)14-9-4-5-11-10(7-9)13-12(15)8-18-11/h4-5,7,14H,2-3,6,8H2,1H3,(H,13,15)
InChIKeyDTCQMDYNXRZVFY-UHFFFAOYSA-N
MW284.34 g/mol
LogP1.56
Rot. Bonds5

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide (PubChem CID 110778091) has the molecular formula C12H16N2O4S and a molecular weight of 284.34 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
PubChem CID110778091
Molecular FormulaC12H16N2O4S
Molecular Weight284.34 g/mol
Exact Mass284.08
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C12H16N2O4S/c1-2-3-6-19(16,17)14-9-4-5-11-10(7-9)13-12(15)8-18-11/h4-5,7,14H,2-3,6,8H2,1H3,(H,13,15)
InChIKeyDTCQMDYNXRZVFY-UHFFFAOYSA-N
XLogP1.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)methanesulfonamide
CID 110778103
N-(4-butylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16620678
6-(octan-2-ylamino)-4H-1,4-benzoxazin-3-one
CID 43129967
6-(hexan-3-ylamino)-4H-1,4-benzoxazin-3-one
CID 103930958
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] (2S)-2-(butylsulfonylamino)propanoate
CID 8745363
N-butyl-N-methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548269
2-amino-N-(3-oxo-4H-1,4-benzoxazin-6-yl)pentanamide
CID 61250377
N-ethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 15943400
6-[(2-ethylphenyl)methylamino]-4H-1,4-benzoxazin-3-one
CID 62390858
6-(4-aminobutylamino)-4H-1,4-benzoxazin-3-one
CID 115201016
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)butane-1-sulfonamide
CID 110639705
6-[(4-amino-3,3-dimethylbutyl)amino]-4H-1,4-benzoxazin-3-one
CID 115204716

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide (CID 110778091) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide?
The InChIKey is DTCQMDYNXRZVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4S/c1-2-3-6-19(16,17)14-9-4-5-11-10(7-9)13-12(15)8-18-11/h4-5,7,14H,2-3,6,8H2,1H3,(H,13,15).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide has a molecular weight of 284.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)butane-1-sulfonamide is sourced from PubChem (CID 110778091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).