N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide

C11H15ClN2O3S — CID 24629157

IUPACN'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-7(2)11(15)13-14-18(16,17)10-5-4-8(3)6-9(10)12/h4-7,14H,1-3H3,(H,13,15)
InChIKeyHDSDOFMCPQMENH-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.61
Rot. Bonds4

About N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide

N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide (PubChem CID 24629157) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide
PubChem CID24629157
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide
SMILESCc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(Cl)c1
InChIInChI=1S/C11H15ClN2O3S/c1-7(2)11(15)13-14-18(16,17)10-5-4-8(3)6-9(10)12/h4-7,14H,1-3H3,(H,13,15)
InChIKeyHDSDOFMCPQMENH-UHFFFAOYSA-N
XLogP1.61
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.61
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

N'-(2-chloro-4-methylphenyl)sulfonylbenzohydrazide
CID 32673196
2-[(2-chloro-4-methylphenyl)sulfonylamino]propanamide
CID 75841470
3-[(2-chloro-4-methylphenyl)sulfonylamino]butanoic acid
CID 43242416
N-butan-2-yl-2-chloro-4-methylbenzenesulfonamide
CID 47142063
tert-butyl (2R)-2-[(2-chloro-4-methylphenyl)sulfonylamino]propanoate
CID 80998367
N-(1-aminopropan-2-yl)-2-chloro-4-methylbenzenesulfonamide
CID 63732403
2-[(2-chloro-4-methylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 79793090
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
(2S)-2-[(2-chloro-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935068
N-[2-[(2-chloro-4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 32675868
N-(3-aminobutyl)-2-chloro-4-methylbenzenesulfonamide
CID 63253709
1-(2-chlorophenyl)-3-[(2,5-dimethylphenyl)sulfonylamino]urea
CID 24819123

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide?
The IUPAC name of N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide (CID 24629157) is N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide.
What is the SMILES notation for N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide?
The canonical SMILES for N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide is Cc1ccc(S(=O)(=O)NNC(=O)C(C)C)c(Cl)c1.
What is the InChIKey of N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide?
The InChIKey is HDSDOFMCPQMENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-7(2)11(15)13-14-18(16,17)10-5-4-8(3)6-9(10)12/h4-7,14H,1-3H3,(H,13,15).
What are the key properties of N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide?
N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide has a molecular weight of 290.77 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-methylphenyl)sulfonyl-2-methylpropanehydrazide is sourced from PubChem (CID 24629157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).