4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide

C13H12ClN3O4S — CID 34967132

IUPAC4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C13H12ClN3O4S/c1-22(20,21)10-4-2-8(3-5-10)12(18)16-17-13(19)11-6-9(14)7-15-11/h2-7,15H,1H3,(H,16,18)(H,17,19)
InChIKeyZQVFFQGOXDWYDI-UHFFFAOYSA-N
MW341.78 g/mol
LogP1.15
Rot. Bonds3

About 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide

4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide (PubChem CID 34967132) has the molecular formula C13H12ClN3O4S and a molecular weight of 341.78 g/mol. Its IUPAC name is 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
PubChem CID34967132
Molecular FormulaC13H12ClN3O4S
Molecular Weight341.78 g/mol
Exact Mass341.02
IUPAC Name4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide
SMILESCS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1
InChIInChI=1S/C13H12ClN3O4S/c1-22(20,21)10-4-2-8(3-5-10)12(18)16-17-13(19)11-6-9(14)7-15-11/h2-7,15H,1H3,(H,16,18)(H,17,19)
InChIKeyZQVFFQGOXDWYDI-UHFFFAOYSA-N
XLogP1.15
TPSA108.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-(4-chlorobenzoyl)-1H-pyrrole-2-carbohydrazide
CID 18106742
4-chloro-N'-(furan-3-carbonyl)-1H-pyrrole-2-carbohydrazide
CID 75413422
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N,N-dimethylbenzenesulfonamide
CID 31421387
4-chloro-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 56811278
4-[[(4-bromo-1H-pyrrole-2-carbonyl)amino]carbamoyl]-N-tert-butylbenzenesulfonamide
CID 31599101
4-chloro-N-[(2S)-1-[2-(4-methylsulfonylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]benzenesulfonamide
CID 34963656
N'-(4-bromobenzoyl)-2-chloro-5-methylsulfonylbenzohydrazide
CID 78773954
1-(4-chlorophenyl)-2,5-dimethyl-N'-(4-methylsulfonylbenzoyl)pyrrole-3-carbohydrazide
CID 52711613
4-chloro-N-[2-(methanesulfonamido)-5-methylphenyl]-1H-pyrrole-2-carboxamide
CID 71929517
N'-(3-methylbutanoyl)-4-methylsulfonylbenzohydrazide
CID 41387558
4-chloro-N'-[2-(4-fluorophenyl)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31726060
4-methylsulfonylbenzohydrazide
CID 11042107

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide (CID 34967132) is 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide is CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(Cl)c[nH]2)cc1.
What is the InChIKey of 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide?
The InChIKey is ZQVFFQGOXDWYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O4S/c1-22(20,21)10-4-2-8(3-5-10)12(18)16-17-13(19)11-6-9(14)7-15-11/h2-7,15H,1H3,(H,16,18)(H,17,19).
What are the key properties of 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide?
4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide has a molecular weight of 341.78 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(4-methylsulfonylbenzoyl)-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 34967132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).