N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

C12H11ClFN3O3S — CID 47022397

IUPACN'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H11ClFN3O3S/c1-17-6-2-3-10(17)12(18)15-16-21(19,20)11-5-4-8(14)7-9(11)13/h2-7,16H,1H3,(H,15,18)
InChIKeyCCSDCPXADGBERP-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.44
Rot. Bonds4

About N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide

N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (PubChem CID 47022397) has the molecular formula C12H11ClFN3O3S and a molecular weight of 331.76 g/mol. Its IUPAC name is N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
PubChem CID47022397
Molecular FormulaC12H11ClFN3O3S
Molecular Weight331.76 g/mol
Exact Mass331.02
IUPAC NameN'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H11ClFN3O3S/c1-17-6-2-3-10(17)12(18)15-16-21(19,20)11-5-4-8(14)7-9(11)13/h2-7,16H,1H3,(H,15,18)
InChIKeyCCSDCPXADGBERP-UHFFFAOYSA-N
XLogP1.44
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-3-[[(1-methylpyrrole-2-carbonyl)amino]sulfamoyl]benzoate
CID 35532022
4-bromo-N'-(2,4-difluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 17420156
(2-chloro-4-fluorophenyl)methyl 1-methylpyrrole-2-carboxylate
CID 55307502
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
CID 18092883
N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
N'-(3,5-dichloro-4-methoxybenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 86907899
4-fluoro-2-[(1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28741909
2-chloro-N-ethyl-4-fluorobenzenesulfonamide
CID 18338331
methyl N-[(2,4-difluorophenyl)sulfonylamino]carbamate
CID 47104395
2-chloro-4-fluoro-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzenesulfonamide
CID 93233572
2-chloro-N-[2-[(2-chloro-4-fluorophenyl)sulfonylamino]ethyl]-4-fluorobenzenesulfonamide
CID 52565640
2-chloro-4-fluoro-N-[(2-methylpropan-2-yl)oxy]benzenesulfonamide
CID 82724404

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide (CID 47022397) is N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
The InChIKey is CCSDCPXADGBERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O3S/c1-17-6-2-3-10(17)12(18)15-16-21(19,20)11-5-4-8(14)7-9(11)13/h2-7,16H,1H3,(H,15,18).
What are the key properties of N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide?
N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide has a molecular weight of 331.76 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-fluorophenyl)sulfonyl-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 47022397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).