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

C17H28ClN3O2S — CID 110403191

IUPAC3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C17H28ClN3O2S/c1-13(2)17(21-9-7-20(4)8-10-21)12-19-24(22,23)15-6-5-14(3)16(18)11-15/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeyUXGXZZPJIWGOTQ-UHFFFAOYSA-N
MW373.95 g/mol
LogP2.20
Rot. Bonds6

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

3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (PubChem CID 110403191) has the molecular formula C17H28ClN3O2S and a molecular weight of 373.95 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
PubChem CID110403191
Molecular FormulaC17H28ClN3O2S
Molecular Weight373.95 g/mol
Exact Mass373.16
IUPAC Name3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C17H28ClN3O2S/c1-13(2)17(21-9-7-20(4)8-10-21)12-19-24(22,23)15-6-5-14(3)16(18)11-15/h5-6,11,13,17,19H,7-10,12H2,1-4H3
InChIKeyUXGXZZPJIWGOTQ-UHFFFAOYSA-N
XLogP2.20
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.95
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
4-chloro-3-cyano-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 60531244
3-methyl-N-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 94249189
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
CID 16932983
5-chloro-1,3-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrazole-4-sulfonamide
CID 60531245
3-chloro-4-methyl-N-[2-(4-methylpiperazin-1-yl)sulfonylethyl]benzenesulfonamide
CID 110345304
5-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-2-sulfonamide
CID 56685915
2,5-dimethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]thiophene-3-sulfonamide
CID 78878039
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1H-pyrazole-5-sulfonamide
CID 102692383
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
3,4-dimethoxy-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402917

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide (CID 110403191) is 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(C(C)C)N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
The InChIKey is UXGXZZPJIWGOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN3O2S/c1-13(2)17(21-9-7-20(4)8-10-21)12-19-24(22,23)15-6-5-14(3)16(18)11-15/h5-6,11,13,17,19H,7-10,12H2,1-4H3.
What are the key properties of 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide?
3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide has a molecular weight of 373.95 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 110403191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).