N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide

C18H18ClN3O4S — CID 2543514

IUPACN'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H18ClN3O4S/c19-15-9-8-14(12-16(15)27(25,26)22-10-4-5-11-22)18(24)21-20-17(23)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,20,23)(H,21,24)
InChIKeyYGZLJBJTMKQBHD-UHFFFAOYSA-N
MW407.88 g/mol
LogP2.20
Rot. Bonds4

About N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide

N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide (PubChem CID 2543514) has the molecular formula C18H18ClN3O4S and a molecular weight of 407.88 g/mol. Its IUPAC name is N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
PubChem CID2543514
Molecular FormulaC18H18ClN3O4S
Molecular Weight407.88 g/mol
Exact Mass407.07
IUPAC NameN'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide
SMILESO=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1
InChIInChI=1S/C18H18ClN3O4S/c19-15-9-8-14(12-16(15)27(25,26)22-10-4-5-11-22)18(24)21-20-17(23)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,20,23)(H,21,24)
InChIKeyYGZLJBJTMKQBHD-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

4-chloro-N'-phenyl-3-piperidin-1-ylsulfonylbenzohydrazide
CID 78774797
4-chloro-N'-(2-fluorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 2124994
N'-[3-(azepan-1-ylsulfonyl)-4-chlorobenzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 26872807
4-chloro-3-piperidin-1-ylsulfonyl-N-propan-2-ylbenzamide
CID 4806697
N'-(4-chloro-3-pyrrolidin-1-ylsulfonylbenzoyl)adamantane-1-carbohydrazide
CID 3638454
4-chloro-N-[(2S)-2-hydroxy-2-phenylethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 7378013
4-chloro-N-cyclohexyl-3-piperidin-1-ylsulfonylbenzamide
CID 1068470
3-(azepan-1-ylsulfonyl)-4-chloro-N-cyclohexylbenzamide
CID 1216844
N-(2-benzylphenyl)-4-chloro-3-pyrrolidin-1-ylsulfonylbenzamide
CID 3247627
4-chloro-N-[(2S)-3-methylbutan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8923234
N'-(4-chlorobenzoyl)-3-piperidin-1-ylsulfonylbenzohydrazide
CID 2567588
3-(azepan-1-ylsulfonyl)-4-chloro-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 26679596

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The IUPAC name of N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide (CID 2543514) is N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide.
What is the SMILES notation for N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The canonical SMILES for N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide is O=C(NNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1ccccc1.
What is the InChIKey of N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
The InChIKey is YGZLJBJTMKQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4S/c19-15-9-8-14(12-16(15)27(25,26)22-10-4-5-11-22)18(24)21-20-17(23)13-6-2-1-3-7-13/h1-3,6-9,12H,4-5,10-11H2,(H,20,23)(H,21,24).
What are the key properties of N'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide?
N'-benzoyl-4-chloro-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'-benzoyl-4-chloro-3-pyrrolidin-1-ylsulfonylbenzohydrazide is sourced from PubChem (CID 2543514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).