N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide

C20H18N6O3S — CID 21131462

IUPACN-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
SMILESNc1cccc2c1cnn2C(=O)NNc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N6O3S/c21-18-7-4-8-19-17(18)13-22-26(19)20(27)24-23-14-9-11-15(12-10-14)25-30(28,29)16-5-2-1-3-6-16/h1-13,23,25H,21H2,(H,24,27)
InChIKeyLSSBOCVWWHZSCQ-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.00
Rot. Bonds5

About N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide

N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide (PubChem CID 21131462) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
PubChem CID21131462
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC NameN-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide
SMILESNc1cccc2c1cnn2C(=O)NNc1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H18N6O3S/c21-18-7-4-8-19-17(18)13-22-26(19)20(27)24-23-14-9-11-15(12-10-14)25-30(28,29)16-5-2-1-3-6-16/h1-13,23,25H,21H2,(H,24,27)
InChIKeyLSSBOCVWWHZSCQ-UHFFFAOYSA-N
XLogP3.00
TPSA131.14 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-(2-aminophenyl)-4-(pyridin-3-ylsulfonylamino)benzamide
CID 139811841
[4-(benzenesulfonamido)phenyl]sulfonyl-(diaminomethylidene)azanium
CID 7048923
N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 21205051
N-(4-phenacylsulfanylphenyl)benzenesulfonamide
CID 19629665
2-amino-N-phenylpyrimidine-5-sulfonamide
CID 46360874
N-[4-(4-aminophenyl)sulfanylphenyl]benzenesulfonamide
CID 3451294
ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
(2S)-2-[4-(benzenesulfonamido)phenyl]propanamide
CID 23653372
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N-[4-[(cyclopropanecarbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 18106352
4-(benzenesulfonamido)-N-phenylmethoxybenzamide
CID 18129482

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
The IUPAC name of N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide (CID 21131462) is N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide is Nc1cccc2c1cnn2C(=O)NNc1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
The InChIKey is LSSBOCVWWHZSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c21-18-7-4-8-19-17(18)13-22-26(19)20(27)24-23-14-9-11-15(12-10-14)25-30(28,29)16-5-2-1-3-6-16/h1-13,23,25H,21H2,(H,24,27).
What are the key properties of N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide?
N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 3.00, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-aminoindazole-1-carbonyl)hydrazinyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 21131462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).