N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C18H18ClN3O4S — CID 8961401

IUPACN'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-15-8-6-13(7-9-15)17(23)20-21-18(24)14-4-3-5-16(12-14)27(25,26)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H,20,23)(H,21,24)
InChIKeyKWWXCVRPDPCASC-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.20
Rot. Bonds4

About N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 8961401) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID8961401
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C18H18ClN3O4S/c19-15-8-6-13(7-9-15)17(23)20-21-18(24)14-4-3-5-16(12-14)27(25,26)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H,20,23)(H,21,24)
InChIKeyKWWXCVRPDPCASC-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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Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 8961401) is N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is KWWXCVRPDPCASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-15-8-6-13(7-9-15)17(23)20-21-18(24)14-4-3-5-16(12-14)27(25,26)22-10-1-2-11-22/h3-9,12H,1-2,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-(4-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'-(4-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 8961401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).