ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate

C16H21Cl2NO4S — CID 155295832

IUPACethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H21Cl2NO4S/c1-2-23-16(20)12-5-3-11(4-6-12)10-19-24(21,22)15-9-13(17)7-8-14(15)18/h7-9,11-12,19H,2-6,10H2,1H3
InChIKeyFEHPZYFMFROULN-UHFFFAOYSA-N
MW394.32 g/mol
LogP3.64
Rot. Bonds6

About ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate

ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate (PubChem CID 155295832) has the molecular formula C16H21Cl2NO4S and a molecular weight of 394.32 g/mol. Its IUPAC name is ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
PubChem CID155295832
Molecular FormulaC16H21Cl2NO4S
Molecular Weight394.32 g/mol
Exact Mass393.06
IUPAC Nameethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C16H21Cl2NO4S/c1-2-23-16(20)12-5-3-11(4-6-12)10-19-24(21,22)15-9-13(17)7-8-14(15)18/h7-9,11-12,19H,2-6,10H2,1H3
InChIKeyFEHPZYFMFROULN-UHFFFAOYSA-N
XLogP3.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate (CID 155295832) is ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CNS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate?
The InChIKey is FEHPZYFMFROULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO4S/c1-2-23-16(20)12-5-3-11(4-6-12)10-19-24(21,22)15-9-13(17)7-8-14(15)18/h7-9,11-12,19H,2-6,10H2,1H3.
What are the key properties of ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate?
ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate has a molecular weight of 394.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2,5-dichlorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 155295832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).