N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide

C24H29Cl2N3O5S — CID 23102764

IUPACN-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
InChIInChI=1S/C24H29Cl2N3O5S/c1-33-19-4-2-17(3-5-19)24(30)27-35(31,32)29-14-8-18(9-15-29)28-12-10-20(11-13-28)34-21-6-7-22(25)23(26)16-21/h2-7,16,18,20H,8-15H2,1H3,(H,27,30)
InChIKeyFMRWQXJQGRYCHJ-UHFFFAOYSA-N
MW542.49 g/mol
LogP3.98
Rot. Bonds7

About N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide

N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide (PubChem CID 23102764) has the molecular formula C24H29Cl2N3O5S and a molecular weight of 542.49 g/mol. Its IUPAC name is N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide
PubChem CID23102764
Molecular FormulaC24H29Cl2N3O5S
Molecular Weight542.49 g/mol
Exact Mass541.12
IUPAC NameN-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NS(=O)(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1
InChIInChI=1S/C24H29Cl2N3O5S/c1-33-19-4-2-17(3-5-19)24(30)27-35(31,32)29-14-8-18(9-15-29)28-12-10-20(11-13-28)34-21-6-7-22(25)23(26)16-21/h2-7,16,18,20H,8-15H2,1H3,(H,27,30)
InChIKeyFMRWQXJQGRYCHJ-UHFFFAOYSA-N
XLogP3.98
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide?
The IUPAC name of N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide (CID 23102764) is N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide.
What is the SMILES notation for N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide?
The canonical SMILES for N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide is COc1ccc(C(=O)NS(=O)(=O)N2CCC(N3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1.
What is the InChIKey of N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide?
The InChIKey is FMRWQXJQGRYCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N3O5S/c1-33-19-4-2-17(3-5-19)24(30)27-35(31,32)29-14-8-18(9-15-29)28-12-10-20(11-13-28)34-21-6-7-22(25)23(26)16-21/h2-7,16,18,20H,8-15H2,1H3,(H,27,30).
What are the key properties of N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide?
N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide has a molecular weight of 542.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3,4-dichlorophenoxy)piperidin-1-yl]piperidin-1-yl]sulfonyl-4-methoxybenzamide is sourced from PubChem (CID 23102764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).