2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

C25H34ClN3O2S — CID 44526698

IUPAC2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C25H34ClN3O2S/c1-20-7-5-10-24(26)25(20)32(30,31)27-22-9-6-8-21(19-22)11-16-28-17-12-23(13-18-28)29-14-3-2-4-15-29/h5-10,19,23,27H,2-4,11-18H2,1H3
InChIKeyVMHCYPUCBOSQBE-UHFFFAOYSA-N
MW476.09 g/mol
LogP4.94
Rot. Bonds7

About 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide

2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 44526698) has the molecular formula C25H34ClN3O2S and a molecular weight of 476.09 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID44526698
Molecular FormulaC25H34ClN3O2S
Molecular Weight476.09 g/mol
Exact Mass475.21
IUPAC Name2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCc1cccc(Cl)c1S(=O)(=O)Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C25H34ClN3O2S/c1-20-7-5-10-24(26)25(20)32(30,31)27-22-9-6-8-21(19-22)11-16-28-17-12-23(13-18-28)29-14-3-2-4-15-29/h5-10,19,23,27H,2-4,11-18H2,1H3
InChIKeyVMHCYPUCBOSQBE-UHFFFAOYSA-N
XLogP4.94
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.09
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 44526698) is 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is Cc1cccc(Cl)c1S(=O)(=O)Nc1cccc(CCN2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is VMHCYPUCBOSQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O2S/c1-20-7-5-10-24(26)25(20)32(30,31)27-22-9-6-8-21(19-22)11-16-28-17-12-23(13-18-28)29-14-3-2-4-15-29/h5-10,19,23,27H,2-4,11-18H2,1H3.
What are the key properties of 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide?
2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 476.09 g/mol, XLogP of 4.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 44526698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).