N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C19H17ClFN3O3S — CID 26980835

IUPACN'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H17ClFN3O3S/c1-12-10-16(13(2)24(12)14-6-4-3-5-7-14)19(25)22-23-28(26,27)15-8-9-18(21)17(20)11-15/h3-11,23H,1-2H3,(H,22,25)
InChIKeyVEXAJMRPZMXYDB-UHFFFAOYSA-N
MW421.88 g/mol
LogP3.51
Rot. Bonds5

About N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 26980835) has the molecular formula C19H17ClFN3O3S and a molecular weight of 421.88 g/mol. Its IUPAC name is N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID26980835
Molecular FormulaC19H17ClFN3O3S
Molecular Weight421.88 g/mol
Exact Mass421.07
IUPAC NameN'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1
InChIInChI=1S/C19H17ClFN3O3S/c1-12-10-16(13(2)24(12)14-6-4-3-5-7-14)19(25)22-23-28(26,27)15-8-9-18(21)17(20)11-15/h3-11,23H,1-2H3,(H,22,25)
InChIKeyVEXAJMRPZMXYDB-UHFFFAOYSA-N
XLogP3.51
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.88
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide
CID 8505015
N'-(3-chloro-4-fluorophenyl)sulfonyl-1H-indole-3-carbohydrazide
CID 26980122
1-(4-chlorophenyl)-2,5-dimethyl-N'-(4-methylsulfonylbenzoyl)pyrrole-3-carbohydrazide
CID 52711613
2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide
CID 31046524
N'-(3-chloro-4-fluorophenyl)sulfonylpropanehydrazide
CID 8505477
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 55616762
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 36846071
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
4-chloro-2,6-difluoro-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 170607681
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 26980835) is N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)n1-c1ccccc1.
What is the InChIKey of N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is VEXAJMRPZMXYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3S/c1-12-10-16(13(2)24(12)14-6-4-3-5-7-14)19(25)22-23-28(26,27)15-8-9-18(21)17(20)11-15/h3-11,23H,1-2H3,(H,22,25).
What are the key properties of N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 421.88 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 26980835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).