N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide

C19H17N3O4S — CID 20917139

IUPACN-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c(C)c1
InChIInChI=1S/C19H17N3O4S/c1-11-4-6-15(12(2)8-11)21-27(24,25)13-5-7-16-14(9-13)18-17(19(23)26-16)20-10-22(18)3/h4-10,21H,1-3H3
InChIKeySWYBZAQPEQMSMQ-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.10
Rot. Bonds3

About N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide

N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide (PubChem CID 20917139) has the molecular formula C19H17N3O4S and a molecular weight of 383.43 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
PubChem CID20917139
Molecular FormulaC19H17N3O4S
Molecular Weight383.43 g/mol
Exact Mass383.09
IUPAC NameN-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c(C)c1
InChIInChI=1S/C19H17N3O4S/c1-11-4-6-15(12(2)8-11)21-27(24,25)13-5-7-16-14(9-13)18-17(19(23)26-16)20-10-22(18)3/h4-10,21H,1-3H3
InChIKeySWYBZAQPEQMSMQ-UHFFFAOYSA-N
XLogP3.10
TPSA94.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
CID 20917143
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide
CID 129423737
N-(2,4-dimethylphenyl)-1-ethyl-2,4-dioxo-3,1-benzoxazine-6-sulfonamide
CID 110677116
N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-[4-(diethylamino)-2-methylphenyl]-3-methyl-2-oxo-1,3-benzoxazole-5-sulfonamide
CID 146025113
4-bromo-N-(2,4-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 97161995
1-(2,5-dimethylphenyl)chromeno[3,4-d]imidazol-4-one
CID 66646808
3-[(5-chloro-2-methylphenyl)sulfonylamino]-N-(2,4-dimethylphenyl)-4-methylbenzenesulfonamide
CID 55603621
4-hydroxy-6-methyl-2-oxo-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]chromene-3-sulfonamide
CID 155927344
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide (CID 20917139) is N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide is Cc1ccc(NS(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
The InChIKey is SWYBZAQPEQMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4S/c1-11-4-6-15(12(2)8-11)21-27(24,25)13-5-7-16-14(9-13)18-17(19(23)26-16)20-10-22(18)3/h4-10,21H,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide?
N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide has a molecular weight of 383.43 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-methyl-4-oxochromeno[3,4-d]imidazole-8-sulfonamide is sourced from PubChem (CID 20917139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).