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

C17H28ClN3O2S — CID 110403737

IUPAC3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C17H28ClN3O2S/c1-14(2)11-16(21-9-7-20(3)8-10-21)13-19-24(22,23)17-6-4-5-15(18)12-17/h4-6,12,14,16,19H,7-11,13H2,1-3H3
InChIKeyWRINWARBFYIEAD-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.28
Rot. Bonds7

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

3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide (PubChem CID 110403737) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
PubChem CID110403737
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC Name3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
SMILESCC(C)CC(CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1
InChIInChI=1S/C17H28ClN3O2S/c1-14(2)11-16(21-9-7-20(3)8-10-21)13-19-24(22,23)17-6-4-5-15(18)12-17/h4-6,12,14,16,19H,7-11,13H2,1-3H3
InChIKeyWRINWARBFYIEAD-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
N-(4-methyl-2-pyrrolidin-1-ylpentyl)benzenesulfonamide
CID 110403541
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
3,4-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 110403316
N-(4-methyl-2-piperidin-1-ylpentyl)-3-nitrobenzenesulfonamide
CID 110403448
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]methanesulfonamide
CID 110403684
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403191
2,6-dichloro-N-(4-methyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46540574
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)-2-oxo-3H-indole-5-sulfonamide
CID 110403585

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide (CID 110403737) is 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide is CC(C)CC(CNS(=O)(=O)c1cccc(Cl)c1)N1CCN(C)CC1.
What is the InChIKey of 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide?
The InChIKey is WRINWARBFYIEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2S/c1-14(2)11-16(21-9-7-20(3)8-10-21)13-19-24(22,23)17-6-4-5-15(18)12-17/h4-6,12,14,16,19H,7-11,13H2,1-3H3.
What are the key properties of 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide?
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide has a molecular weight of 373.95 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide is sourced from PubChem (CID 110403737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).