N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C19H19N3O5S — CID 16621011

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1N1CCCC1=O
InChIInChI=1S/C19H19N3O5S/c1-12-9-13(4-6-16(12)22-8-2-3-19(22)24)21-28(25,26)14-5-7-17-15(10-14)20-18(23)11-27-17/h4-7,9-10,21H,2-3,8,11H2,1H3,(H,20,23)
InChIKeyKCUCELGKQLHQAP-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.25
Rot. Bonds4

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16621011) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16621011
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1N1CCCC1=O
InChIInChI=1S/C19H19N3O5S/c1-12-9-13(4-6-16(12)22-8-2-3-19(22)24)21-28(25,26)14-5-7-17-15(10-14)20-18(23)11-27-17/h4-7,9-10,21H,2-3,8,11H2,1H3,(H,20,23)
InChIKeyKCUCELGKQLHQAP-UHFFFAOYSA-N
XLogP2.25
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide with MolForge

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Related Compounds

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7635815
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 99954159
4-N,4-N-dimethyl-1-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzene-1,4-disulfonamide
CID 24602878
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
3-methyl-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30782510
3-fluoro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635821
6-methoxy-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 100540031
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]naphthalene-2-sulfonamide
CID 7636178
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 25420136
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 16621011) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is KCUCELGKQLHQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-12-9-13(4-6-16(12)22-8-2-3-19(22)24)21-28(25,26)14-5-7-17-15(10-14)20-18(23)11-27-17/h4-7,9-10,21H,2-3,8,11H2,1H3,(H,20,23).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16621011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).