N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide

C10H13ClN2O3S — CID 1203886

IUPACN'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-7(2)10(14)12-13-17(15,16)9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)
InChIKeyBINOAWRQYMZMTF-UHFFFAOYSA-N
MW276.75 g/mol
LogP1.31
Rot. Bonds4

About N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide

N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide (PubChem CID 1203886) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.75 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide
PubChem CID1203886
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.75 g/mol
Exact Mass276.03
IUPAC NameN'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide
SMILESCC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClN2O3S/c1-7(2)10(14)12-13-17(15,16)9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14)
InChIKeyBINOAWRQYMZMTF-UHFFFAOYSA-N
XLogP1.31
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Pyrazolidinone, 1-((4-chlorophenyl)sulfonyl)-
CID 1487854
2-methyl-N'-(phenylsulfonyl)propanohydrazide
CID 3537922
2-(4-Chlorobenzene-1-sulfonyl)acetohydrazide
CID 2819384
N'-(benzenesulfonyl)acetohydrazide
CID 291557
Acetic acid, (hydroxyamino)oxo-, 2-((4-chlorophenyl)sulfonyl)hydrazide
CID 3047115
4-chloro-N-methyl-N-[2-(2-methylsulfonylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 2363818
4-chloro-N'-(3-methoxypropanoyl)benzenesulfonohydrazide
CID 1728424
(4Z,7Z,10Z,13Z,16Z,19Z)-N-(4-chlorophenyl)sulfonyldocosa-4,7,10,13,16,19-hexaenamide
CID 155543254
N-Acetyl-4-chlorobenzenesulfonamide
CID 4486456
3-{[(4-Chlorophenyl)sulfonyl]amino}propanamide
CID 2991887
N-[(4-chlorophenyl)sulfonyl]-2-cyanoacetamide
CID 765606
N-[(4-Chlorophenyl)sulfonyl]cyclopropanecarboxamide
CID 2546196

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide (CID 1203886) is N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide is CC(C)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide?
The InChIKey is BINOAWRQYMZMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c1-7(2)10(14)12-13-17(15,16)9-5-3-8(11)4-6-9/h3-7,13H,1-2H3,(H,12,14).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide?
N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide has a molecular weight of 276.75 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-2-methylpropanehydrazide is sourced from PubChem (CID 1203886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).