4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide

C20H30ClN3O3S — CID 46381903

IUPAC4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O3S/c21-17-6-8-19(9-7-17)28(26,27)22-13-10-16-11-14-24(15-12-16)20(25)23-18-4-2-1-3-5-18/h6-9,16,18,22H,1-5,10-15H2,(H,23,25)
InChIKeyBNXBAQHRDRJJRN-UHFFFAOYSA-N
MW428.00 g/mol
LogP3.76
Rot. Bonds6

About 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide

4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 46381903) has the molecular formula C20H30ClN3O3S and a molecular weight of 428.00 g/mol. Its IUPAC name is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide
PubChem CID46381903
Molecular FormulaC20H30ClN3O3S
Molecular Weight428.00 g/mol
Exact Mass427.17
IUPAC Name4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H30ClN3O3S/c21-17-6-8-19(9-7-17)28(26,27)22-13-10-16-11-14-24(15-12-16)20(25)23-18-4-2-1-3-5-18/h6-9,16,18,22H,1-5,10-15H2,(H,23,25)
InChIKeyBNXBAQHRDRJJRN-UHFFFAOYSA-N
XLogP3.76
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.00
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide (CID 46381903) is 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is BNXBAQHRDRJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3S/c21-17-6-8-19(9-7-17)28(26,27)22-13-10-16-11-14-24(15-12-16)20(25)23-18-4-2-1-3-5-18/h6-9,16,18,22H,1-5,10-15H2,(H,23,25).
What are the key properties of 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide?
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 428.00 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 46381903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).