6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide

C18H17ClN2O4S — CID 22582458

IUPAC6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NC3CCCc4ccccc43)c(Cl)cc2N1
InChIInChI=1S/C18H17ClN2O4S/c19-13-8-15-16(25-10-18(22)20-15)9-17(13)26(23,24)21-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-9,14,21H,3,5,7,10H2,(H,20,22)
InChIKeyPXZKFYBTYDVNGH-UHFFFAOYSA-N
MW392.86 g/mol
LogP3.03
Rot. Bonds3

About 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide

6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22582458) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound Name6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22582458
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide
SMILESO=C1COc2cc(S(=O)(=O)NC3CCCc4ccccc43)c(Cl)cc2N1
InChIInChI=1S/C18H17ClN2O4S/c19-13-8-15-16(25-10-18(22)20-15)9-17(13)26(23,24)21-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-9,14,21H,3,5,7,10H2,(H,20,22)
InChIKeyPXZKFYBTYDVNGH-UHFFFAOYSA-N
XLogP3.03
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide with MolForge

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Related Compounds

5-chloro-3-methyl-2-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,3-benzoxazole-6-sulfonamide
CID 28935901
N-benzhydryl-6-chloro-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 52579392
2-chloro-5-(3-oxo-2,4-dihydroquinoxaline-1-carbonyl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 41226143
6-chloro-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3-oxo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,4-benzoxazine-7-sulfonamide
CID 95085376
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120722144
6-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55681754
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 33346649
2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzo[cd]indole-6-sulfonamide
CID 167420896
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzenesulfonamide
CID 3325789
6-chloro-N-[(3-chlorophenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 55682435
4-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20927745
N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 4779685

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide (CID 22582458) is 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide is O=C1COc2cc(S(=O)(=O)NC3CCCc4ccccc43)c(Cl)cc2N1.
What is the InChIKey of 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is PXZKFYBTYDVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c19-13-8-15-16(25-10-18(22)20-15)9-17(13)26(23,24)21-14-7-3-5-11-4-1-2-6-12(11)14/h1-2,4,6,8-9,14,21H,3,5,7,10H2,(H,20,22).
What are the key properties of 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide?
6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 392.86 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22582458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).