N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C24H23N5O4S — CID 55857690

IUPACN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C24H23N5O4S/c1-16-6-5-7-17(2)23(16)27-34(32,33)19-12-10-18(11-13-19)25-22(30)14-15-29-24(31)20-8-3-4-9-21(20)26-28-29/h3-13,27H,14-15H2,1-2H3,(H,25,30)
InChIKeySKCKCWYFOGUURT-UHFFFAOYSA-N
MW477.55 g/mol
LogP3.24
Rot. Bonds7

About N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 55857690) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
PubChem CID55857690
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC NameN-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
SMILESCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1
InChIInChI=1S/C24H23N5O4S/c1-16-6-5-7-17(2)23(16)27-34(32,33)19-12-10-18(11-13-19)25-22(30)14-15-29-24(31)20-8-3-4-9-21(20)26-28-29/h3-13,27H,14-15H2,1-2H3,(H,25,30)
InChIKeySKCKCWYFOGUURT-UHFFFAOYSA-N
XLogP3.24
TPSA123.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide with MolForge

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Related Compounds

N-(2-methylphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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N,N-diethyl-4-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzamide
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N-(3,4-dimethoxyphenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 4905024
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[3-(trifluoromethyl)phenyl]propanamide
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ethyl 3-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate
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N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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N-[4-(dimethylamino)phenyl]-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
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N-(5-bromonaphthalen-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 146022046
N-(2-methyl-3-nitrophenyl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The IUPAC name of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 55857690) is N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.
What is the SMILES notation for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The canonical SMILES for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCn2nnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
The InChIKey is SKCKCWYFOGUURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c1-16-6-5-7-17(2)23(16)27-34(32,33)19-12-10-18(11-13-19)25-22(30)14-15-29-24(31)20-8-3-4-9-21(20)26-28-29/h3-13,27H,14-15H2,1-2H3,(H,25,30).
What are the key properties of N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 477.55 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 55857690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).