N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

C17H18ClN3O5S — CID 7601132

IUPACN-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O5S/c18-14-8-4-5-9-15(14)26-12-17(23)21-20-16(22)10-11-19-27(24,25)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)(H,21,23)
InChIKeyQJALNJZHAHRBKS-UHFFFAOYSA-N
MW411.87 g/mol
LogP1.23
Rot. Bonds8

About N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide

N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (PubChem CID 7601132) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
PubChem CID7601132
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC NameN-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
SMILESO=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl
InChIInChI=1S/C17H18ClN3O5S/c18-14-8-4-5-9-15(14)26-12-17(23)21-20-16(22)10-11-19-27(24,25)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)(H,21,23)
InChIKeyQJALNJZHAHRBKS-UHFFFAOYSA-N
XLogP1.23
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260
2-chloro-N-[3-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55350760
N'-[2-(2-chlorophenoxy)acetyl]-3-phenylpropanehydrazide
CID 3139333
N-[3-[2-[2-[4-(4-cyanophenyl)phenoxy]acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 4852291
4-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-N-(2-chlorophenyl)-4-oxobutanamide
CID 3394735
3-(2-chlorophenoxy)-N-[4-(2-phenylethylsulfamoyl)phenyl]propanamide
CID 108802323
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
CID 1032604
(3R)-N'-[2-(2-chlorophenoxy)acetyl]-3-phenylbutanehydrazide
CID 7978293
2-(2-chlorophenoxy)-N-hydroxyacetamide
CID 95562486
2-(4-chlorophenoxy)-N'-[2-(2-chlorophenoxy)acetyl]acetohydrazide
CID 3372388
4-[[2-(2-chlorophenoxy)acetyl]amino]butanoic acid
CID 43239206
2-(2-chlorophenoxy)-N-phenylacetamide
CID 853450

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide (CID 7601132) is N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl.
What is the InChIKey of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
The InChIKey is QJALNJZHAHRBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c18-14-8-4-5-9-15(14)26-12-17(23)21-20-16(22)10-11-19-27(24,25)13-6-2-1-3-7-13/h1-9,19H,10-12H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide?
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide has a molecular weight of 411.87 g/mol, XLogP of 1.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]benzenesulfonamide is sourced from PubChem (CID 7601132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).