N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide

C15H13ClN6O5S — CID 22889982

IUPACN-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cc(Cl)cc32)cc1
InChIInChI=1S/C15H13ClN6O5S/c1-28(26,27)20-11-4-2-10(3-5-11)18-19-15(23)21-13-6-9(16)7-14(22(24)25)12(13)8-17-21/h2-8,18,20H,1H3,(H,19,23)
InChIKeyFZYYBZRLGHIZKR-UHFFFAOYSA-N
MW424.83 g/mol
LogP2.55
Rot. Bonds5

About N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide

N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide (PubChem CID 22889982) has the molecular formula C15H13ClN6O5S and a molecular weight of 424.83 g/mol. Its IUPAC name is N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
PubChem CID22889982
Molecular FormulaC15H13ClN6O5S
Molecular Weight424.83 g/mol
Exact Mass424.04
IUPAC NameN-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cc(Cl)cc32)cc1
InChIInChI=1S/C15H13ClN6O5S/c1-28(26,27)20-11-4-2-10(3-5-11)18-19-15(23)21-13-6-9(16)7-14(22(24)25)12(13)8-17-21/h2-8,18,20H,1H3,(H,19,23)
InChIKeyFZYYBZRLGHIZKR-UHFFFAOYSA-N
XLogP2.55
TPSA148.26 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.83
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]-2-octoxy-5-(2,4,4-trimethylpentan-2-yl)benzenesulfonamide
CID 22889977
1-(4-chloro-3-nitrophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875215
N-[4-(2-acetylhydrazinyl)phenyl]methanesulfonamide
CID 23454955
3-chloro-4-nitroaniline;N-(3-chloro-4-nitrophenyl)methanesulfonamide
CID 161191303
N-(3,5-dichlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 1290637
N-(4-chloro-2-nitrophenyl)-1-methyl-4-nitropyrazole-5-carboxamide
CID 19478348
N-[1-(3,5-dichloro-2-pyridinyl)-4-nitropyrazol-5-yl]methanesulfonamide
CID 21291161
4-[(5-chloro-3-nitro-2-pyridinyl)amino]phenol
CID 70584439
4-chloro-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 39992748
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
5-methyl-4-nitropyrazole-1-carboxylic acid
CID 90039126
N-[4-(methanesulfonamido)phenyl]-4-nitrobenzenecarboximidoyl chloride
CID 18948540

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide (CID 22889982) is N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NNC(=O)n2ncc3c([N+](=O)[O-])cc(Cl)cc32)cc1.
What is the InChIKey of N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
The InChIKey is FZYYBZRLGHIZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN6O5S/c1-28(26,27)20-11-4-2-10(3-5-11)18-19-15(23)21-13-6-9(16)7-14(22(24)25)12(13)8-17-21/h2-8,18,20H,1H3,(H,19,23).
What are the key properties of N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide?
N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide has a molecular weight of 424.83 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(6-chloro-4-nitroindazole-1-carbonyl)hydrazinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 22889982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).