N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide

C12H9ClF3N3O3S — CID 8842403

IUPACN'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc[nH]1
InChIInChI=1S/C12H9ClF3N3O3S/c13-8-4-3-7(12(14,15)16)6-10(8)23(21,22)19-18-11(20)9-2-1-5-17-9/h1-6,17,19H,(H,18,20)
InChIKeyOAOGBDWOOXCVQR-UHFFFAOYSA-N
MW367.74 g/mol
LogP2.31
Rot. Bonds4

About N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide

N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide (PubChem CID 8842403) has the molecular formula C12H9ClF3N3O3S and a molecular weight of 367.74 g/mol. Its IUPAC name is N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
PubChem CID8842403
Molecular FormulaC12H9ClF3N3O3S
Molecular Weight367.74 g/mol
Exact Mass367.00
IUPAC NameN'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc[nH]1
InChIInChI=1S/C12H9ClF3N3O3S/c13-8-4-3-7(12(14,15)16)6-10(8)23(21,22)19-18-11(20)9-2-1-5-17-9/h1-6,17,19H,(H,18,20)
InChIKeyOAOGBDWOOXCVQR-UHFFFAOYSA-N
XLogP2.31
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,5-difluorophenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842495
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyldibenzofuran-2-carbohydrazide
CID 10276840
2-[2-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylhydrazinyl]-N-cyclopropyl-2-oxoacetamide
CID 8841202
4-[(1H-pyrrole-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8842471
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-[2-amino-4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480984
1-tert-butyl-3-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylurea
CID 90007957
4-chloro-3-[[(4-hydroxybenzoyl)amino]sulfamoyl]benzoic acid
CID 100820484
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 26965393
5-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]benzene-1,3-dicarboxamide
CID 2101092
2-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 78785998

Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide (CID 8842403) is N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide is O=C(NNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)c1ccc[nH]1.
What is the InChIKey of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is OAOGBDWOOXCVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3O3S/c13-8-4-3-7(12(14,15)16)6-10(8)23(21,22)19-18-11(20)9-2-1-5-17-9/h1-6,17,19H,(H,18,20).
What are the key properties of N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide?
N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 367.74 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 8842403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).