N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide

C13H18ClN3O3S — CID 4165843

IUPACN-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
SMILESCC=C(C)NNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O3S/c1-3-10(2)16-17-13(18)8-9-15-21(19,20)12-6-4-11(14)5-7-12/h3-7,15-16H,8-9H2,1-2H3,(H,17,18)
InChIKeyWSYCJHPYXPICLR-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.55
Rot. Bonds7

About N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide

N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide (PubChem CID 4165843) has the molecular formula C13H18ClN3O3S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
PubChem CID4165843
Molecular FormulaC13H18ClN3O3S
Molecular Weight331.83 g/mol
Exact Mass331.08
IUPAC NameN-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
SMILESCC=C(C)NNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C13H18ClN3O3S/c1-3-10(2)16-17-13(18)8-9-15-21(19,20)12-6-4-11(14)5-7-12/h3-7,15-16H,8-9H2,1-2H3,(H,17,18)
InChIKeyWSYCJHPYXPICLR-UHFFFAOYSA-N
XLogP1.55
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 17225661
3-[(4-chlorophenyl)sulfonylamino]-N-pentan-3-ylpropanamide
CID 17225690
3-[(4-chlorophenyl)sulfonylamino]-N-[4-(propylsulfamoyl)phenyl]propanamide
CID 17225792
3-[(4-chlorophenyl)sulfonylamino]-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9480885
3-[(4-chlorophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 17225585
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
4-chloro-N-(6-hydrazinyl-6-oxohexyl)benzenesulfonamide
CID 70623191
N-[2-(4-chlorophenoxy)ethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24548368
2-[3-[(4-chlorophenyl)sulfonylamino]propanoylamino]-N-ethylpropanamide
CID 17411620
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
3-[(4-chlorophenyl)sulfonylamino]-N-(1-pyridin-4-ylethyl)propanamide
CID 24639242
3-[(4-chlorophenyl)sulfonylamino]-N-(2-methylcyclohexyl)propanamide
CID 15992422

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide (CID 4165843) is N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide is CC=C(C)NNC(=O)CCNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide?
The InChIKey is WSYCJHPYXPICLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O3S/c1-3-10(2)16-17-13(18)8-9-15-21(19,20)12-6-4-11(14)5-7-12/h3-7,15-16H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide?
N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 4165843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).