2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C15H24ClN3O2S — CID 75444453

IUPAC2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)N2CCN(C)CC2)c1Cl
InChIInChI=1S/C15H24ClN3O2S/c1-12-5-4-6-14(15(12)16)22(20,21)17-11-13(2)19-9-7-18(3)8-10-19/h4-6,13,17H,7-11H2,1-3H3
InChIKeyMSKDQIZWQZBLFJ-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.56
Rot. Bonds5

About 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 75444453) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID75444453
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCC(C)N2CCN(C)CC2)c1Cl
InChIInChI=1S/C15H24ClN3O2S/c1-12-5-4-6-14(15(12)16)22(20,21)17-11-13(2)19-9-7-18(3)8-10-19/h4-6,13,17H,7-11H2,1-3H3
InChIKeyMSKDQIZWQZBLFJ-UHFFFAOYSA-N
XLogP1.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 75444453) is 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)NCC(C)N2CCN(C)CC2)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is MSKDQIZWQZBLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2S/c1-12-5-4-6-14(15(12)16)22(20,21)17-11-13(2)19-9-7-18(3)8-10-19/h4-6,13,17H,7-11H2,1-3H3.
What are the key properties of 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 345.90 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 75444453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).