3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

C19H18F3N3O5S — CID 35507212

IUPAC3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O5S/c20-19(21,22)30-15-8-6-13(7-9-15)17(26)23-24-18(27)14-4-3-5-16(12-14)31(28,29)25-10-1-2-11-25/h3-9,12H,1-2,10-11H2,(H,23,26)(H,24,27)
InChIKeyRHRCHMBRCHSCMZ-UHFFFAOYSA-N
MW457.43 g/mol
LogP2.44
Rot. Bonds5

About 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide

3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (PubChem CID 35507212) has the molecular formula C19H18F3N3O5S and a molecular weight of 457.43 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
PubChem CID35507212
Molecular FormulaC19H18F3N3O5S
Molecular Weight457.43 g/mol
Exact Mass457.09
IUPAC Name3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3N3O5S/c20-19(21,22)30-15-8-6-13(7-9-15)17(26)23-24-18(27)14-4-3-5-16(12-14)31(28,29)25-10-1-2-11-25/h3-9,12H,1-2,10-11H2,(H,23,26)(H,24,27)
InChIKeyRHRCHMBRCHSCMZ-UHFFFAOYSA-N
XLogP2.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 26969476
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
3-piperidin-1-ylsulfonyl-N-(2,2,2-trifluoroethyl)benzamide
CID 18105575
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675
(4-acetylphenyl) 3-pyrrolidin-1-ylsulfonylbenzoate
CID 3915580
N'-(cyclohexylidenemethyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2692216

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide (CID 35507212) is 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
The InChIKey is RHRCHMBRCHSCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O5S/c20-19(21,22)30-15-8-6-13(7-9-15)17(26)23-24-18(27)14-4-3-5-16(12-14)31(28,29)25-10-1-2-11-25/h3-9,12H,1-2,10-11H2,(H,23,26)(H,24,27).
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide?
3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide has a molecular weight of 457.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-1-ylsulfonyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide is sourced from PubChem (CID 35507212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).