N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide

C23H23N3O4S — CID 50796763

IUPACN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C23H23N3O4S/c1-15-10-11-18(12-16(15)2)31(28,29)24-19-13-20-21(26(4)23(27)25(20)3)14-22(19)30-17-8-6-5-7-9-17/h5-14,24H,1-4H3
InChIKeySGRKPPRAYHLRKC-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.09
Rot. Bonds5

About N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide (PubChem CID 50796763) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
PubChem CID50796763
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C
InChIInChI=1S/C23H23N3O4S/c1-15-10-11-18(12-16(15)2)31(28,29)24-19-13-20-21(26(4)23(27)25(20)3)14-22(19)30-17-8-6-5-7-9-17/h5-14,24H,1-4H3
InChIKeySGRKPPRAYHLRKC-UHFFFAOYSA-N
XLogP4.09
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.09
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)-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide (CID 50796763) is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1C.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide?
The InChIKey is SGRKPPRAYHLRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-15-10-11-18(12-16(15)2)31(28,29)24-19-13-20-21(26(4)23(27)25(20)3)14-22(19)30-17-8-6-5-7-9-17/h5-14,24H,1-4H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-3,4-dimethylbenzenesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 4.09, 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)-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 50796763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).