4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide

C16H15ClN4O4S — CID 49368635

IUPAC4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H15ClN4O4S/c1-20-13-8-7-12(9-14(13)21(2)16(20)23)26(24,25)19-18-15(22)10-3-5-11(17)6-4-10/h3-9,19H,1-2H3,(H,18,22)
InChIKeyCPYOTEYEVGHUFX-UHFFFAOYSA-N
MW394.84 g/mol
LogP1.15
Rot. Bonds4

About 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide

4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide (PubChem CID 49368635) has the molecular formula C16H15ClN4O4S and a molecular weight of 394.84 g/mol. Its IUPAC name is 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide
PubChem CID49368635
Molecular FormulaC16H15ClN4O4S
Molecular Weight394.84 g/mol
Exact Mass394.05
IUPAC Name4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H15ClN4O4S/c1-20-13-8-7-12(9-14(13)21(2)16(20)23)26(24,25)19-18-15(22)10-3-5-11(17)6-4-10/h3-9,19H,1-2H3,(H,18,22)
InChIKeyCPYOTEYEVGHUFX-UHFFFAOYSA-N
XLogP1.15
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.84
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide?
The IUPAC name of 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide (CID 49368635) is 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide.
What is the SMILES notation for 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide?
The canonical SMILES for 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NNC(=O)c3ccc(Cl)cc3)ccc21.
What is the InChIKey of 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide?
The InChIKey is CPYOTEYEVGHUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4S/c1-20-13-8-7-12(9-14(13)21(2)16(20)23)26(24,25)19-18-15(22)10-3-5-11(17)6-4-10/h3-9,19H,1-2H3,(H,18,22).
What are the key properties of 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide?
4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide has a molecular weight of 394.84 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylbenzohydrazide is sourced from PubChem (CID 49368635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).