2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C18H22ClN3O2S — CID 42267368

IUPAC2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c19-17-8-4-5-9-18(17)25(23,24)20-10-11-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-9,20H,10-15H2
InChIKeyYJKGYEXTLNELFP-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.44
Rot. Bonds6

About 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 42267368) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID42267368
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c19-17-8-4-5-9-18(17)25(23,24)20-10-11-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-9,20H,10-15H2
InChIKeyYJKGYEXTLNELFP-UHFFFAOYSA-N
XLogP2.44
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 90938157
5-chloro-2-methyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267469
2-chloro-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 9338930
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-[(2-chlorophenyl)sulfonylamino]propanamide
CID 39302121
2,4,6-trimethyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267382
2,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42267350
3,4-difluoro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 42428630
2,5-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzenesulfonamide
CID 42388791
3-[(2-chlorophenyl)sulfonylamino]-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butan-2-yl]propanamide
CID 55662536
2-chloro-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 26680947
2-bromo-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60703082
(E)-2-phenyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]ethenesulfonamide
CID 34105825

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 42267368) is 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCN1CCN(c2ccccc2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is YJKGYEXTLNELFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c19-17-8-4-5-9-18(17)25(23,24)20-10-11-21-12-14-22(15-13-21)16-6-2-1-3-7-16/h1-9,20H,10-15H2.
What are the key properties of 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 379.91 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42267368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).