3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide

C15H16Cl2N2O2S — CID 2743187

IUPAC3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide
SMILESCC(C)c1ccc(NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-10(2)11-3-5-12(6-4-11)18-19-22(20,21)13-7-8-14(16)15(17)9-13/h3-10,18-19H,1-2H3
InChIKeyZUHUUBABKNXABT-UHFFFAOYSA-N
MW359.28 g/mol
LogP4.42
Rot. Bonds5

About 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide

3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide (PubChem CID 2743187) has the molecular formula C15H16Cl2N2O2S and a molecular weight of 359.28 g/mol. Its IUPAC name is 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide.

Molecular Properties

Compound Name3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide
PubChem CID2743187
Molecular FormulaC15H16Cl2N2O2S
Molecular Weight359.28 g/mol
Exact Mass358.03
IUPAC Name3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide
SMILESCC(C)c1ccc(NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H16Cl2N2O2S/c1-10(2)11-3-5-12(6-4-11)18-19-22(20,21)13-7-8-14(16)15(17)9-13/h3-10,18-19H,1-2H3
InChIKeyZUHUUBABKNXABT-UHFFFAOYSA-N
XLogP4.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.28
LogP ≤ 54.42
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

3,4-dichloro-N'-(4-methylphenyl)sulfonylbenzenesulfonohydrazide
CID 8500653
3,4-dichloro-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 7038002
3,4-dichloro-N-(2-propan-2-yl-1,3-benzoxazol-6-yl)benzenesulfonamide
CID 84563223
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
CID 112980530
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
(2R)-2-[(3,4-dichlorophenyl)sulfonylamino]propanoate
CID 2451311
3,4-dichloro-N-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 43502121
3,4-dichloro-N'-(2-chloro-6-fluorophenyl)benzenesulfonohydrazide
CID 2743290
3,4-dichlorobenzenesulfonohydrazide
CID 2735965
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
3-(1-aminoethyl)-N-(3,4-dichlorophenyl)benzenesulfonamide
CID 43104208

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide?
The IUPAC name of 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide (CID 2743187) is 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide.
What is the SMILES notation for 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide?
The canonical SMILES for 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide is CC(C)c1ccc(NNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide?
The InChIKey is ZUHUUBABKNXABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2S/c1-10(2)11-3-5-12(6-4-11)18-19-22(20,21)13-7-8-14(16)15(17)9-13/h3-10,18-19H,1-2H3.
What are the key properties of 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide?
3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide has a molecular weight of 359.28 g/mol, XLogP of 4.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N'-(4-propan-2-ylphenyl)benzenesulfonohydrazide is sourced from PubChem (CID 2743187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).