N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide

C15H15ClN4O4S — CID 123361601

IUPACN-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide
SMILESCC(C)/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN4O4S/c1-10(2)17-18-14-8-7-11(20(21)22)9-15(14)25(23,24)19-13-6-4-3-5-12(13)16/h3-10,19H,1-2H3/b18-17+
InChIKeyPLCLMDXNQFIMIK-ISLYRVAYSA-N
MW382.83 g/mol
LogP4.54
Rot. Bonds6

About N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide

N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide (PubChem CID 123361601) has the molecular formula C15H15ClN4O4S and a molecular weight of 382.83 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide
PubChem CID123361601
Molecular FormulaC15H15ClN4O4S
Molecular Weight382.83 g/mol
Exact Mass382.05
IUPAC NameN-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide
SMILESCC(C)/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN4O4S/c1-10(2)17-18-14-8-7-11(20(21)22)9-15(14)25(23,24)19-13-6-4-3-5-12(13)16/h3-10,19H,1-2H3/b18-17+
InChIKeyPLCLMDXNQFIMIK-ISLYRVAYSA-N
XLogP4.54
TPSA114.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-butan-2-ylidenehydrazinyl)-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 3893128
N-(2-chlorophenyl)-5-nitro-2-[2-[(4-nitrophenyl)methylidene]hydrazinyl]benzenesulfonamide
CID 4653257
N-(2-chlorophenyl)-2-[2-(4-methylcyclohexylidene)hydrazinyl]-5-nitrobenzenesulfonamide
CID 18271748
N-(2-chlorophenyl)-2-[2-[(2-fluorophenyl)methylidene]hydrazinyl]-5-nitrobenzenesulfonamide
CID 4029430
2-[(2Z)-2-[(2-chloro-6-fluorophenyl)methylidene]hydrazinyl]-N-(2-chlorophenyl)-5-nitrobenzenesulfonamide
CID 6082903
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(thiophen-2-ylmethylidene)hydrazinyl]benzenesulfonamide
CID 6088824
2-methoxy-N-(2-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 3627288
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-(1-pyridin-3-ylethylidene)hydrazinyl]benzenesulfonamide
CID 6080364
N-(2-chlorophenyl)-5-nitro-2-[(2Z)-2-[phenyl(pyridin-4-yl)methylidene]hydrazinyl]benzenesulfonamide
CID 6082022
N-(2-chlorophenyl)-2-(3-methyl-5-phenylpyrazol-1-yl)-5-nitrobenzenesulfonamide
CID 24987401
N-(3-chloro-2-methylphenyl)-2,3-dimethyl-5-nitrobenzenesulfonamide
CID 26486969
N-(2-chlorophenyl)-5-nitro-2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzenesulfonamide
CID 4994972

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide (CID 123361601) is N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide is CC(C)/N=N/c1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide?
The InChIKey is PLCLMDXNQFIMIK-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15ClN4O4S/c1-10(2)17-18-14-8-7-11(20(21)22)9-15(14)25(23,24)19-13-6-4-3-5-12(13)16/h3-10,19H,1-2H3/b18-17+.
What are the key properties of N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide?
N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide has a molecular weight of 382.83 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-nitro-2-(propan-2-yldiazenyl)benzenesulfonamide is sourced from PubChem (CID 123361601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).