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

C15H24ClN3O2S — CID 2998597

IUPAC4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
SMILESCN1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3O2S/c1-15(2,12-19-10-8-18(3)9-11-19)17-22(20,21)14-6-4-13(16)5-7-14/h4-7,17H,8-12H2,1-3H3
InChIKeyATBNKPIMXGIIIV-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.64
Rot. Bonds5

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

4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide (PubChem CID 2998597) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
PubChem CID2998597
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC Name4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide
SMILESCN1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H24ClN3O2S/c1-15(2,12-19-10-8-18(3)9-11-19)17-22(20,21)14-6-4-13(16)5-7-14/h4-7,17H,8-12H2,1-3H3
InChIKeyATBNKPIMXGIIIV-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide (CID 2998597) is 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide is CN1CCN(CC(C)(C)NS(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
The InChIKey is ATBNKPIMXGIIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2S/c1-15(2,12-19-10-8-18(3)9-11-19)17-22(20,21)14-6-4-13(16)5-7-14/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide?
4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide has a molecular weight of 345.90 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]benzenesulfonamide is sourced from PubChem (CID 2998597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).