N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C18H18ClN3O4S — CID 7742373

IUPACN'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O4S/c19-15-7-3-5-13(11-15)17(23)20-21-18(24)14-6-4-8-16(12-14)27(25,26)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2,(H,20,23)(H,21,24)
InChIKeySZOANNHSBVTBJH-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.20
Rot. Bonds4

About N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 7742373) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID7742373
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1
InChIInChI=1S/C18H18ClN3O4S/c19-15-7-3-5-13(11-15)17(23)20-21-18(24)14-6-4-8-16(12-14)27(25,26)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2,(H,20,23)(H,21,24)
InChIKeySZOANNHSBVTBJH-UHFFFAOYSA-N
XLogP2.20
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 52.20
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

N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
3,5-dichloro-N'-(3-morpholin-4-ylsulfonylbenzoyl)benzohydrazide
CID 26654250
3-(azepan-1-ylsulfonyl)-N'-[2-(4-chlorophenyl)acetyl]benzohydrazide
CID 34572984
3-chloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3384883
1-methyl-3-[(3-pyrrolidin-1-ylsulfonylbenzoyl)amino]thiourea
CID 8668824
N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)pyridine-3-carbohydrazide
CID 46523062
3-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 18801888
3-(azepan-1-ylsulfonyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 2597746
(3-chlorophenyl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 7699907
N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55716591
N-(3-chloro-2-hydroxyphenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 118695530
N'-(4-ethoxybenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 27620051

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 7742373) is N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is SZOANNHSBVTBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-15-7-3-5-13(11-15)17(23)20-21-18(24)14-6-4-8-16(12-14)27(25,26)22-9-1-2-10-22/h3-8,11-12H,1-2,9-10H2,(H,20,23)(H,21,24).
What are the key properties of N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide has a molecular weight of 407.88 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 7742373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).