N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide

C30H37N5O4S — CID 45489207

IUPACN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
SMILESO=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H37N5O4S/c36-29(25-35(20-15-32-21-23-39-24-22-32)40(37,38)28-13-7-8-14-31-28)33-16-18-34(19-17-33)30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-14,30H,15-25H2
InChIKeyMPBBVBRPTMMQGM-UHFFFAOYSA-N
MW563.72 g/mol
LogP2.34
Rot. Bonds10

About N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide

N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide (PubChem CID 45489207) has the molecular formula C30H37N5O4S and a molecular weight of 563.72 g/mol. Its IUPAC name is N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
PubChem CID45489207
Molecular FormulaC30H37N5O4S
Molecular Weight563.72 g/mol
Exact Mass563.26
IUPAC NameN-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide
SMILESO=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H37N5O4S/c36-29(25-35(20-15-32-21-23-39-24-22-32)40(37,38)28-13-7-8-14-31-28)33-16-18-34(19-17-33)30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-14,30H,15-25H2
InChIKeyMPBBVBRPTMMQGM-UHFFFAOYSA-N
XLogP2.34
TPSA86.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.72
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide (CID 45489207) is N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide is O=C(CN(CCN1CCOCC1)S(=O)(=O)c1ccccn1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
The InChIKey is MPBBVBRPTMMQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O4S/c36-29(25-35(20-15-32-21-23-39-24-22-32)40(37,38)28-13-7-8-14-31-28)33-16-18-34(19-17-33)30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-14,30H,15-25H2.
What are the key properties of N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide?
N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide has a molecular weight of 563.72 g/mol, XLogP of 2.34, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-N-(2-morpholin-4-ylethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 45489207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).