N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide

C24H22N2O4S — CID 10598953

IUPACN-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3c(=O)o2)cc1
InChIInChI=1S/C24H22N2O4S/c1-24(2,3)17-11-9-16(10-12-17)22-25-21-14-13-18(15-20(21)23(27)30-22)26-31(28,29)19-7-5-4-6-8-19/h4-15,26H,1-3H3
InChIKeyKSFIJIURZUSTFE-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.95
Rot. Bonds4

About N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide

N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide (PubChem CID 10598953) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide
PubChem CID10598953
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide
SMILESCC(C)(C)c1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3c(=O)o2)cc1
InChIInChI=1S/C24H22N2O4S/c1-24(2,3)17-11-9-16(10-12-17)22-25-21-14-13-18(15-20(21)23(27)30-22)26-31(28,29)19-7-5-4-6-8-19/h4-15,26H,1-3H3
InChIKeyKSFIJIURZUSTFE-UHFFFAOYSA-N
XLogP4.95
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-methyl-1,3-benzoxazol-2-yl)phenyl]benzenesulfonamide
CID 3371014
4-nitro-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzenesulfonamide
CID 17380466
N-[2-(4-iodophenyl)-1,3-benzoxazol-5-yl]benzenesulfonamide
CID 1362301
CID 68568728
CID 68568728
4-tert-butyl-N-[4-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 2486227
N-[4-[6-[2-(4-acetamidophenyl)-4-oxo-3,1-benzoxazin-6-yl]-4-oxo-3,1-benzoxazin-2-yl]phenyl]acetamide
CID 1381906
5-[[4-(5-tert-butyl-1,3-benzoxazol-2-yl)phenyl]sulfamoyl]-2-methylbenzoic acid
CID 58937139
5-[(4-tert-butylphenyl)sulfonylamino]-2-carboxyphenolate
CID 54725188
N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84562589
6-fluoro-2-phenyl-3,1-benzoxazin-4-one
CID 10014554
N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
CID 110444579
6-chloro-2-[4-(6-chloro-4-oxo-3,1-benzoxazin-2-yl)phenyl]-3,1-benzoxazin-4-one
CID 18432334

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide (CID 10598953) is N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide is CC(C)(C)c1ccc(-c2nc3ccc(NS(=O)(=O)c4ccccc4)cc3c(=O)o2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide?
The InChIKey is KSFIJIURZUSTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-24(2,3)17-11-9-16(10-12-17)22-25-21-14-13-18(15-20(21)23(27)30-22)26-31(28,29)19-7-5-4-6-8-19/h4-15,26H,1-3H3.
What are the key properties of N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide?
N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide has a molecular weight of 434.52 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-4-oxo-3,1-benzoxazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 10598953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).