3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide

C10H13ClN2O3S — CID 25208609

IUPAC3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)CCCl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-8-2-4-9(5-3-8)17(15,16)13-12-10(14)6-7-11/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyWHXLRROLSWJGRV-UHFFFAOYSA-N
MW276.75 g/mol
LogP0.93
Rot. Bonds5

About 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide

3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide (PubChem CID 25208609) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide.

Molecular Properties

Compound Name3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
PubChem CID25208609
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC Name3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)CCCl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-8-2-4-9(5-3-8)17(15,16)13-12-10(14)6-7-11/h2-5,13H,6-7H2,1H3,(H,12,14)
InChIKeyWHXLRROLSWJGRV-UHFFFAOYSA-N
XLogP0.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N',4-N'-bis-(4-methylphenyl)sulfonylbutanedihydrazide
CID 5153632
2-(4-chlorophenyl)sulfonyl-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 146673637
3-chloro-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]propanamide
CID 94830981
methyl N-[(4-methylphenyl)sulfonylamino]carbamate
CID 795389
N'-(4-methylphenyl)sulfonyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 2797423
N'-(4-methylphenyl)sulfonyl-2-(2,4,5-trichlorophenoxy)acetohydrazide
CID 165343411
2-[2-(4-methylphenyl)sulfonylhydrazinyl]acetyl chloride
CID 71573592
N'-(4-chlorophenyl)sulfonyl-4-methylbenzohydrazide
CID 932051
2-(4-ethylphenoxy)-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 3374893
1-N',6-N'-bis[(4-ethoxyphenyl)sulfonyl]hexanedihydrazide
CID 3116496
2-[(3R)-1,1-dioxothiolan-3-yl]-N'-(4-methylphenyl)sulfonylacetohydrazide
CID 7223056
methyl N-[(4-methylphenyl)sulfonylamino]carbamodithioate
CID 11065699

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The IUPAC name of 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide (CID 25208609) is 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide.
What is the SMILES notation for 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The canonical SMILES for 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide is Cc1ccc(S(=O)(=O)NNC(=O)CCCl)cc1.
What is the InChIKey of 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide?
The InChIKey is WHXLRROLSWJGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-8-2-4-9(5-3-8)17(15,16)13-12-10(14)6-7-11/h2-5,13H,6-7H2,1H3,(H,12,14).
What are the key properties of 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide?
3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide has a molecular weight of 276.75 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-(4-methylphenyl)sulfonylpropanehydrazide is sourced from PubChem (CID 25208609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).