3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide

C19H24ClN3O2S — CID 71730036

IUPAC3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-11-13-23(14-12-22)10-9-16-5-7-18(8-6-16)21-26(24,25)19-4-2-3-17(20)15-19/h2-8,15,21H,9-14H2,1H3
InChIKeyBCFCUBJHWFVXDZ-UHFFFAOYSA-N
MW393.94 g/mol
LogP2.93
Rot. Bonds6

About 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide

3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide (PubChem CID 71730036) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
PubChem CID71730036
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide
SMILESCN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H24ClN3O2S/c1-22-11-13-23(14-12-22)10-9-16-5-7-18(8-6-16)21-26(24,25)19-4-2-3-17(20)15-19/h2-8,15,21H,9-14H2,1H3
InChIKeyBCFCUBJHWFVXDZ-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide (CID 71730036) is 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide is CN1CCN(CCc2ccc(NS(=O)(=O)c3cccc(Cl)c3)cc2)CC1.
What is the InChIKey of 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
The InChIKey is BCFCUBJHWFVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-22-11-13-23(14-12-22)10-9-16-5-7-18(8-6-16)21-26(24,25)19-4-2-3-17(20)15-19/h2-8,15,21H,9-14H2,1H3.
What are the key properties of 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide?
3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide has a molecular weight of 393.94 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 71730036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).