N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

C21H22ClN3O4S — CID 27685918

IUPACN'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22ClN3O4S/c22-17-7-5-16(6-8-17)21(11-12-21)20(27)24-23-19(26)15-3-9-18(10-4-15)30(28,29)25-13-1-2-14-25/h3-10H,1-2,11-14H2,(H,23,26)(H,24,27)
InChIKeyRBFPSAMROKQDJM-UHFFFAOYSA-N
MW447.94 g/mol
LogP2.62
Rot. Bonds5

About N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 27685918) has the molecular formula C21H22ClN3O4S and a molecular weight of 447.94 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID27685918
Molecular FormulaC21H22ClN3O4S
Molecular Weight447.94 g/mol
Exact Mass447.10
IUPAC NameN'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H22ClN3O4S/c22-17-7-5-16(6-8-17)21(11-12-21)20(27)24-23-19(26)15-3-9-18(10-4-15)30(28,29)25-13-1-2-14-25/h3-10H,1-2,11-14H2,(H,23,26)(H,24,27)
InChIKeyRBFPSAMROKQDJM-UHFFFAOYSA-N
XLogP2.62
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.94
LogP ≤ 52.62
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

1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 100681854
4-chloro-2-nitro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 46663670
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-3-carbohydrazide
CID 55511757
2-[4-(azepan-1-ylsulfonyl)anilino]-1-(4-chlorophenyl)ethanone
CID 110825269
(4-chlorophenyl)methyl 4-(azepan-1-ylsulfonyl)benzoate
CID 2557889
4-(azepan-1-ylsulfonyl)-N-(5-chloro-2-fluorophenyl)benzamide
CID 8759383
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 27685918) is N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is RBFPSAMROKQDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O4S/c22-17-7-5-16(6-8-17)21(11-12-21)20(27)24-23-19(26)15-3-9-18(10-4-15)30(28,29)25-13-1-2-14-25/h3-10H,1-2,11-14H2,(H,23,26)(H,24,27).
What are the key properties of N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 447.94 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 27685918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).