N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide

C17H20N4O3S2 — CID 56503137

IUPACN-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
SMILESCCSc1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccn1
InChIInChI=1S/C17H20N4O3S2/c1-2-25-16-11-12(9-10-18-16)17(22)20-19-13-5-7-15(8-6-13)26(23,24)21-14-3-4-14/h5-11,14,19,21H,2-4H2,1H3,(H,20,22)
InChIKeyXOOSNXLMPQHSNG-UHFFFAOYSA-N
MW392.51 g/mol
LogP2.39
Rot. Bonds8

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

N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide (PubChem CID 56503137) has the molecular formula C17H20N4O3S2 and a molecular weight of 392.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
PubChem CID56503137
Molecular FormulaC17H20N4O3S2
Molecular Weight392.51 g/mol
Exact Mass392.10
IUPAC NameN-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide
SMILESCCSc1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccn1
InChIInChI=1S/C17H20N4O3S2/c1-2-25-16-11-12(9-10-18-16)17(22)20-19-13-5-7-15(8-6-13)26(23,24)21-14-3-4-14/h5-11,14,19,21H,2-4H2,1H3,(H,20,22)
InChIKeyXOOSNXLMPQHSNG-UHFFFAOYSA-N
XLogP2.39
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-4-[2-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoyl]hydrazinyl]benzenesulfonamide
CID 56503129
N-cyclopropyl-4-[2-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]hydrazinyl]benzenesulfonamide
CID 56503643
N-cyclopropyl-4-[2-(4-phenylmethoxybenzoyl)hydrazinyl]benzenesulfonamide
CID 56502746
N-cyclopropyl-3-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]benzenesulfonamide
CID 26121096
4-[2-(4-bromo-5-propan-2-yl-1H-pyrazole-3-carbonyl)hydrazinyl]-N-cyclopropylbenzenesulfonamide
CID 56566087
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
4-chloro-N-[1-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 56504410
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
CID 109059369
N-cyclopropyl-4-[2-(5-fluoro-3-methyl-1-benzothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
CID 56503522
N-cyclopropyl-4-[2-(2-phenyl-2-pyrazol-1-ylacetyl)hydrazinyl]benzenesulfonamide
CID 56503653
3-chloro-N-[3-[2-[4-(cyclopropylsulfamoyl)phenyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 56504283
N-cyclooctyl-4-(ethylamino)benzenesulfonamide
CID 62150101

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide (CID 56503137) is N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide is CCSc1cc(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)ccn1.
What is the InChIKey of N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide?
The InChIKey is XOOSNXLMPQHSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S2/c1-2-25-16-11-12(9-10-18-16)17(22)20-19-13-5-7-15(8-6-13)26(23,24)21-14-3-4-14/h5-11,14,19,21H,2-4H2,1H3,(H,20,22).
What are the key properties of N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide?
N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide has a molecular weight of 392.51 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-(2-ethylsulfanylpyridine-4-carbonyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 56503137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).