N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide

C18H17ClN4O2S — CID 135624522

IUPACN-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C\c2cn[nH]c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN4O2S/c1-12-3-4-13(2)17(9-12)26(24,25)23-21-11-15-10-20-22-18(15)14-5-7-16(19)8-6-14/h3-11,23H,1-2H3,(H,20,22)/b21-11-
InChIKeyHSLGGOYDPOCRHY-NHDPSOOVSA-N
MW388.88 g/mol
LogP3.66
Rot. Bonds5

About N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide

N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide (PubChem CID 135624522) has the molecular formula C18H17ClN4O2S and a molecular weight of 388.88 g/mol. Its IUPAC name is N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
PubChem CID135624522
Molecular FormulaC18H17ClN4O2S
Molecular Weight388.88 g/mol
Exact Mass388.08
IUPAC NameN-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N/N=C\c2cn[nH]c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H17ClN4O2S/c1-12-3-4-13(2)17(9-12)26(24,25)23-21-11-15-10-20-22-18(15)14-5-7-16(19)8-6-14/h3-11,23H,1-2H3,(H,20,22)/b21-11-
InChIKeyHSLGGOYDPOCRHY-NHDPSOOVSA-N
XLogP3.66
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.88
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,5-dichloro-N-[(Z)-[5-(4-ethylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135647557
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135647628
N-[(E)-(4-chlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 6906878
N-[(2,4-dichlorophenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 4017599
N-[(Z)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]-2,4,6-trimethylbenzenesulfonamide
CID 135958273
4-chloro-N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
CID 6898223
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2,5-dimethylbenzenesulfonamide
CID 136807805
2,5-dimethoxy-N-[(E)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylideneamino]benzenesulfonamide
CID 135873349
N-[(E)-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,4-dimethoxybenzenesulfonamide
CID 135884718
2,5-dichloro-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methylideneamino]benzamide
CID 1014831
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide (CID 135624522) is N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N/N=C\c2cn[nH]c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
The InChIKey is HSLGGOYDPOCRHY-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H17ClN4O2S/c1-12-3-4-13(2)17(9-12)26(24,25)23-21-11-15-10-20-22-18(15)14-5-7-16(19)8-6-14/h3-11,23H,1-2H3,(H,20,22)/b21-11-.
What are the key properties of N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide?
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide has a molecular weight of 388.88 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 135624522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).