2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide

C19H19Cl2N3O4S — CID 55348670

IUPAC2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H19Cl2N3O4S/c20-14-5-3-13(4-6-14)11-18(25)22-23-19(26)16-12-15(7-8-17(16)21)29(27,28)24-9-1-2-10-24/h3-8,12H,1-2,9-11H2,(H,22,25)(H,23,26)
InChIKeyMTDTVAKFULPDMJ-UHFFFAOYSA-N
MW456.35 g/mol
LogP2.78
Rot. Bonds5

About 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide

2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 55348670) has the molecular formula C19H19Cl2N3O4S and a molecular weight of 456.35 g/mol. Its IUPAC name is 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID55348670
Molecular FormulaC19H19Cl2N3O4S
Molecular Weight456.35 g/mol
Exact Mass455.05
IUPAC Name2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C19H19Cl2N3O4S/c20-14-5-3-13(4-6-14)11-18(25)22-23-19(26)16-12-15(7-8-17(16)21)29(27,28)24-9-1-2-10-24/h3-8,12H,1-2,9-11H2,(H,22,25)(H,23,26)
InChIKeyMTDTVAKFULPDMJ-UHFFFAOYSA-N
XLogP2.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 52.78
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

3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2599269
N-(5-chloro-2-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51188709
2-chloro-N-[2-(4-chlorophenyl)sulfanylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26374148
2-chloro-5-piperidin-1-ylsulfonyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 41311671
5-(azepan-1-ylsulfonyl)-2-chloro-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 46767784
2-chloro-N-[2-(4-chlorophenoxy)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 30502848
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
N'-[2-(4-methylphenyl)acetyl]-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 29205480
N'-(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 26641022
5-(azepan-1-ylsulfonyl)-2-chloro-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133162556
1-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-3-[(4-methoxyphenyl)methyl]thiourea
CID 26858237

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 55348670) is 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide is O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is MTDTVAKFULPDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O4S/c20-14-5-3-13(4-6-14)11-18(25)22-23-19(26)16-12-15(7-8-17(16)21)29(27,28)24-9-1-2-10-24/h3-8,12H,1-2,9-11H2,(H,22,25)(H,23,26).
What are the key properties of 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide?
2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 456.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-(4-chlorophenyl)acetyl]-5-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 55348670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).