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

C21H18ClN3O4S — CID 50796734

IUPAC4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H18ClN3O4S/c1-24-18-12-17(23-30(27,28)16-10-8-14(22)9-11-16)20(13-19(18)25(2)21(24)26)29-15-6-4-3-5-7-15/h3-13,23H,1-2H3
InChIKeyBQZPMDCKARCXPC-UHFFFAOYSA-N
MW443.91 g/mol
LogP4.12
Rot. Bonds5

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

4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide (PubChem CID 50796734) has the molecular formula C21H18ClN3O4S and a molecular weight of 443.91 g/mol. Its IUPAC name is 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
PubChem CID50796734
Molecular FormulaC21H18ClN3O4S
Molecular Weight443.91 g/mol
Exact Mass443.07
IUPAC Name4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide
SMILESCn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21
InChIInChI=1S/C21H18ClN3O4S/c1-24-18-12-17(23-30(27,28)16-10-8-14(22)9-11-16)20(13-19(18)25(2)21(24)26)29-15-6-4-3-5-7-15/h3-13,23H,1-2H3
InChIKeyBQZPMDCKARCXPC-UHFFFAOYSA-N
XLogP4.12
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-Dimethoxy-N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796983
N-[6-(4-Methoxyphenoxy)-1,3-Dimethyl-2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl]benzenesulfonamide
CID 50796602
2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 2349135
N-[4-[(2-oxo-1,3-dihydrobenzimidazol-4-yl)oxy]phenyl]benzenesulfonamide
CID 46228855
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
N-[6-(4-Methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-YL]-2-methylbenzene-1-sulfonamide
CID 50796792
N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 50796873
4-methoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxobenzimidazol-5-yl]benzenesulfonamide
CID 50820637
N-(1,3-dimethyl-2-oxo-6-phenoxy-2,3-dihydro-1H-benzimidazol-5-yl)-4-methylbenzenesulfonamide
CID 50820716
2,3-dichloro-N-(6-methoxy-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzenesulfonamide
CID 118706817
2,3-dichloro-N-(6-methoxy-1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 118706818

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide (CID 50796734) is 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide is Cn1c(=O)n(C)c2cc(Oc3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)cc21.
What is the InChIKey of 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide?
The InChIKey is BQZPMDCKARCXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4S/c1-24-18-12-17(23-30(27,28)16-10-8-14(22)9-11-16)20(13-19(18)25(2)21(24)26)29-15-6-4-3-5-7-15/h3-13,23H,1-2H3.
What are the key properties of 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide?
4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide has a molecular weight of 443.91 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-dimethyl-2-oxo-6-phenoxybenzimidazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 50796734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).