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

C22H21N3O4S — CID 50820716

IUPACN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)30(27,28)23-18-13-19-20(25(3)22(26)24(19)2)14-21(18)29-16-7-5-4-6-8-16/h4-14,23H,1-3H3
InChIKeyBCSTVTWCJVHOHA-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.78
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide (PubChem CID 50820716) 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)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide
PubChem CID50820716
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1
InChIInChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)30(27,28)23-18-13-19-20(25(3)22(26)24(19)2)14-21(18)29-16-7-5-4-6-8-16/h4-14,23H,1-3H3
InChIKeyBCSTVTWCJVHOHA-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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Related Compounds

4-Bromo-N-(2,3-dihydro-6-methoxy-1,3-dimethyl-2-oxo-1H-benzimidazol-5-yl)-2-methyl-benzenesulfonamide
CID 35397514
3,4-Dimethoxy-N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796983
N-{6-[3-(Benzyloxy)phenoxy]-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl}-3,4-Dimethoxybenzenesulfonamide
CID 91808036
N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
IACS-7e
CID 118896778
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 46228525
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 46228819
N-[3-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
CID 46228854
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
CID 46228855
4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
CID 50796734
N-(1,3-dimethyl-2-oxo-6-phenoxy-2,3-dihydro-1H-1,3-benzimidazol-5-yl)-3,4-dimethoxy-1-benzenesulfonamide
CID 50796762
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methoxybenzenesulfonamide
CID 50796790

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide (CID 50820716) is N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc3c(cc2Oc2ccccc2)n(C)c(=O)n3C)cc1.
What is the InChIKey of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide?
The InChIKey is BCSTVTWCJVHOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c1-15-9-11-17(12-10-15)30(27,28)23-18-13-19-20(25(3)22(26)24(19)2)14-21(18)29-16-7-5-4-6-8-16/h4-14,23H,1-3H3.
What are the key properties of N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-methylbenzenesulfonamide?
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-4-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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 50820716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).