4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide

C17H18ClN3O5S — CID 26854853

IUPAC4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O5S/c1-21(27(24,25)13-9-7-12(18)8-10-13)11-16(22)19-20-17(23)14-5-3-4-6-15(14)26-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKQWBHXWRYGNAMJ-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.43
Rot. Bonds6

About 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide

4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (PubChem CID 26854853) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
PubChem CID26854853
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide
SMILESCOc1ccccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O5S/c1-21(27(24,25)13-9-7-12(18)8-10-13)11-16(22)19-20-17(23)14-5-3-4-6-15(14)26-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyKQWBHXWRYGNAMJ-UHFFFAOYSA-N
XLogP1.43
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-chloro-2-methoxybenzoyl)-4-fluoro-3-morpholin-4-ylsulfonylbenzohydrazide
CID 2528605
N-[3-[2-(5-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4795157
1-(4-chlorophenyl)sulfonyl-N'-(2-hydroxybenzoyl)piperidine-4-carbohydrazide
CID 18109124
N-[2-[2-[2-[(4-chlorophenyl)sulfonyl-methylamino]acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
CID 24979908
(2R)-2-[(4-chlorophenyl)sulfonyl-[(2-methoxyphenyl)methyl]amino]-4-methylpentanamide
CID 71456881
Bes(4-Cl)-D-N(Mob)Leu-NHNH2
CID 71460553
N-[[4-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methoxybenzamide
CID 155522199
3-[[(5-chloro-2-methoxybenzoyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 2664271
4-chloro-N-(4-chlorophenyl)sulfonyl-2-methoxybenzamide
CID 11239220
N-[3-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-2-methoxybenzamide
CID 16315219
4-chloro-N-methyl-N-[2-oxo-2-[2-(2,4,5-trimethoxybenzoyl)hydrazinyl]ethyl]benzenesulfonamide
CID 24981236
N'-(5-chloro-2-methoxybenzoyl)-2-fluoro-5-(morpholine-4-sulfonyl)benzohydrazide
CID 2533167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide (CID 26854853) is 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is COc1ccccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
The InChIKey is KQWBHXWRYGNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-21(27(24,25)13-9-7-12(18)8-10-13)11-16(22)19-20-17(23)14-5-3-4-6-15(14)26-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide?
4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide has a molecular weight of 411.87 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(2-methoxybenzoyl)hydrazinyl]-2-oxoethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 26854853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).