N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C17H27Cl2N3O3S — CID 70927847

IUPACN-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(O)NNc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H27Cl2N3O3S/c1-17(2,3)26(24,25)22-13-7-4-11(5-8-13)16(23)21-20-15-9-6-12(18)10-14(15)19/h6,9-11,13,16,20-23H,4-5,7-8H2,1-3H3
InChIKeyOOJHEGIENQRUDW-UHFFFAOYSA-N
MW424.39 g/mol
LogP3.51
Rot. Bonds6

About N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70927847) has the molecular formula C17H27Cl2N3O3S and a molecular weight of 424.39 g/mol. Its IUPAC name is N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70927847
Molecular FormulaC17H27Cl2N3O3S
Molecular Weight424.39 g/mol
Exact Mass423.12
IUPAC NameN-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(C(O)NNc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H27Cl2N3O3S/c1-17(2,3)26(24,25)22-13-7-4-11(5-8-13)16(23)21-20-15-9-6-12(18)10-14(15)19/h6,9-11,13,16,20-23H,4-5,7-8H2,1-3H3
InChIKeyOOJHEGIENQRUDW-UHFFFAOYSA-N
XLogP3.51
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.39
LogP ≤ 53.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70927847) is N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(C(O)NNc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is OOJHEGIENQRUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27Cl2N3O3S/c1-17(2,3)26(24,25)22-13-7-4-11(5-8-13)16(23)21-20-15-9-6-12(18)10-14(15)19/h6,9-11,13,16,20-23H,4-5,7-8H2,1-3H3.
What are the key properties of N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 424.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70927847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).