N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide

C23H23N3O4S — CID 56502746

IUPACN-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
SMILESO=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c27-23(18-6-12-21(13-7-18)30-16-17-4-2-1-3-5-17)25-24-19-10-14-22(15-11-19)31(28,29)26-20-8-9-20/h1-7,10-15,20,24,26H,8-9,16H2,(H,25,27)
InChIKeyJBNDCWKYYABJSU-UHFFFAOYSA-N
MW437.52 g/mol
LogP3.46
Rot. Bonds9

About N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide

N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide (PubChem CID 56502746) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
PubChem CID56502746
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
SMILESO=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O4S/c27-23(18-6-12-21(13-7-18)30-16-17-4-2-1-3-5-17)25-24-19-10-14-22(15-11-19)31(28,29)26-20-8-9-20/h1-7,10-15,20,24,26H,8-9,16H2,(H,25,27)
InChIKeyJBNDCWKYYABJSU-UHFFFAOYSA-N
XLogP3.46
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropylsulfamoyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46475804
N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
CID 56503129
4-(2-methoxyethoxy)-N-(4-phenylcyclohexyl)benzenesulfonamide
CID 46406704
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
CID 56503137
N-[4-(cyclohexylsulfamoyl)phenyl]-2-phenylacetamide
CID 4627278
N-(4-cyclopentyloxyphenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 36566720
N-[3-[2-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 51134706
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
4-ethoxy-N'-phenylbenzohydrazide
CID 12065813
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide (CID 56502746) is N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide is O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide?
The InChIKey is JBNDCWKYYABJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4S/c27-23(18-6-12-21(13-7-18)30-16-17-4-2-1-3-5-17)25-24-19-10-14-22(15-11-19)31(28,29)26-20-8-9-20/h1-7,10-15,20,24,26H,8-9,16H2,(H,25,27).
What are the key properties of N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide has a molecular weight of 437.52 g/mol, XLogP of 3.46, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56502746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).