N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

C20H22F2N2O5S — CID 2680047

IUPACN-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F2N2O5S/c1-28-16-6-8-18(9-7-16)30(26,27)24-12-10-14(11-13-24)19(25)23-15-2-4-17(5-3-15)29-20(21)22/h2-9,14,20H,10-13H2,1H3,(H,23,25)
InChIKeyMKBSAANXZALPIL-UHFFFAOYSA-N
MW440.47 g/mol
LogP3.34
Rot. Bonds7

About N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 2680047) has the molecular formula C20H22F2N2O5S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID2680047
Molecular FormulaC20H22F2N2O5S
Molecular Weight440.47 g/mol
Exact Mass440.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1
InChIInChI=1S/C20H22F2N2O5S/c1-28-16-6-8-18(9-7-16)30(26,27)24-12-10-14(11-13-24)19(25)23-15-2-4-17(5-3-15)29-20(21)22/h2-9,14,20H,10-13H2,1H3,(H,23,25)
InChIKeyMKBSAANXZALPIL-UHFFFAOYSA-N
XLogP3.34
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide (CID 2680047) is N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is MKBSAANXZALPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O5S/c1-28-16-6-8-18(9-7-16)30(26,27)24-12-10-14(11-13-24)19(25)23-15-2-4-17(5-3-15)29-20(21)22/h2-9,14,20H,10-13H2,1H3,(H,23,25).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 440.47 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2680047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).