N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide

C22H21N3O4S — CID 127029368

IUPACN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C22H21N3O4S/c1-15-9-7-8-12-21(15)30(27,28)23-17-13-18-19(25(3)22(26)24(18)2)14-20(17)29-16-10-5-4-6-11-16/h4-14,23H,1-3H3
InChIKeyDRDLWSKOXFKMGK-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.78
Rot. Bonds5

About N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide (PubChem CID 127029368) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide
PubChem CID127029368
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C
InChIInChI=1S/C22H21N3O4S/c1-15-9-7-8-12-21(15)30(27,28)23-17-13-18-19(25(3)22(26)24(18)2)14-20(17)29-16-10-5-4-6-11-16/h4-14,23H,1-3H3
InChIKeyDRDLWSKOXFKMGK-UHFFFAOYSA-N
XLogP3.78
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide (CID 127029368) is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1cc2c(cc1Oc1ccccc1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide?
The InChIKey is DRDLWSKOXFKMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-9-7-8-12-21(15)30(27,28)23-17-13-18-19(25(3)22(26)24(18)2)14-20(17)29-16-10-5-4-6-11-16/h4-14,23H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide has a molecular weight of 423.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 127029368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).