2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide

C17H25ClN2O4S — CID 2244178

IUPAC2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO
InChIInChI=1S/C17H25ClN2O4S/c18-14-7-9-16(10-8-14)25(23,24)20(15-5-2-1-3-6-15)13-17(22)19-11-4-12-21/h7-10,15,21H,1-6,11-13H2,(H,19,22)
InChIKeyZYKXVZMQBKJMJW-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.16
Rot. Bonds8

About 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide

2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide (PubChem CID 2244178) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide
PubChem CID2244178
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide
SMILESO=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO
InChIInChI=1S/C17H25ClN2O4S/c18-14-7-9-16(10-8-14)25(23,24)20(15-5-2-1-3-6-15)13-17(22)19-11-4-12-21/h7-10,15,21H,1-6,11-13H2,(H,19,22)
InChIKeyZYKXVZMQBKJMJW-UHFFFAOYSA-N
XLogP2.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide (CID 2244178) is 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide is O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)NCCCO.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide?
The InChIKey is ZYKXVZMQBKJMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c18-14-7-9-16(10-8-14)25(23,24)20(15-5-2-1-3-6-15)13-17(22)19-11-4-12-21/h7-10,15,21H,1-6,11-13H2,(H,19,22).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide has a molecular weight of 388.92 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-cyclohexylamino]-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 2244178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).