2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide

C23H22N4O3S — CID 31046524

IUPAC2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cnc2c(S(=O)(=O)NNC(=O)c3cc(C)n(-c4ccccc4)c3C)cccc2c1
InChIInChI=1S/C23H22N4O3S/c1-15-12-18-8-7-11-21(22(18)24-14-15)31(29,30)26-25-23(28)20-13-16(2)27(17(20)3)19-9-5-4-6-10-19/h4-14,26H,1-3H3,(H,25,28)
InChIKeyBSABGVKJDIHZPX-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.57
Rot. Bonds5

About 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide

2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 31046524) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID31046524
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cnc2c(S(=O)(=O)NNC(=O)c3cc(C)n(-c4ccccc4)c3C)cccc2c1
InChIInChI=1S/C23H22N4O3S/c1-15-12-18-8-7-11-21(22(18)24-14-15)31(29,30)26-25-23(28)20-13-16(2)27(17(20)3)19-9-5-4-6-10-19/h4-14,26H,1-3H3,(H,25,28)
InChIKeyBSABGVKJDIHZPX-UHFFFAOYSA-N
XLogP3.57
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
2,5-dimethyl-1-phenyl-N'-[(E)-2-phenylethenyl]sulfonylpyrrole-3-carbohydrazide
CID 8505015
N'-(3-chloro-4-fluorophenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 26980835
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]quinoline-8-sulfonamide
CID 31776356
N-benzyl-3-methylquinoline-8-sulfonamide
CID 33345852
methyl 2-[(3-methylquinolin-8-yl)sulfonylamino]acetate
CID 43422932
3-methyl-N-propan-2-ylquinoline-8-sulfonamide
CID 60721828
3-methyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]quinoline-8-sulfonamide
CID 94799039
3,3-dimethyl-N-[2-[(3-methylquinolin-8-yl)sulfonylamino]-2-oxoethyl]butanamide
CID 47569586
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 30475355

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide (CID 31046524) is 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide is Cc1cnc2c(S(=O)(=O)NNC(=O)c3cc(C)n(-c4ccccc4)c3C)cccc2c1.
What is the InChIKey of 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is BSABGVKJDIHZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-15-12-18-8-7-11-21(22(18)24-14-15)31(29,30)26-25-23(28)20-13-16(2)27(17(20)3)19-9-5-4-6-10-19/h4-14,26H,1-3H3,(H,25,28).
What are the key properties of 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide?
2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 434.52 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(3-methylquinolin-8-yl)sulfonyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 31046524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).