3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

C15H23Cl2N3O2S — CID 60531038

IUPAC3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1
InChIInChI=1S/C15H23Cl2N3O2S/c1-12(11-20-5-3-19(2)4-6-20)10-18-23(21,22)15-8-13(16)7-14(17)9-15/h7-9,12,18H,3-6,10-11H2,1-2H3
InChIKeyCJXOIIBBZHWIBY-UHFFFAOYSA-N
MW380.34 g/mol
LogP2.16
Rot. Bonds6

About 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide

3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (PubChem CID 60531038) has the molecular formula C15H23Cl2N3O2S and a molecular weight of 380.34 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
PubChem CID60531038
Molecular FormulaC15H23Cl2N3O2S
Molecular Weight380.34 g/mol
Exact Mass379.09
IUPAC Name3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1
InChIInChI=1S/C15H23Cl2N3O2S/c1-12(11-20-5-3-19(2)4-6-20)10-18-23(21,22)15-8-13(16)7-14(17)9-15/h7-9,12,18H,3-6,10-11H2,1-2H3
InChIKeyCJXOIIBBZHWIBY-UHFFFAOYSA-N
XLogP2.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530804
N-(3-bromo-2-methylpropyl)-3,5-dichlorobenzenesulfonamide
CID 114298130
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
4-cyclopentyloxy-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 87024812
3,5-dichloro-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824465
3-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403737
6-chloro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-3-sulfonamide
CID 61045800
4-ethylsulfonyl-N-[(2R)-2-methyl-3-piperidin-1-ylpropyl]benzenesulfonamide
CID 51966450
4-chloro-N-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]benzenesulfonamide
CID 110403691
3-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)benzenesulfonamide
CID 61060155
N-(2-aminobutyl)-3,5-dichlorobenzenesulfonamide
CID 63730553
N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 94605722

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide (CID 60531038) is 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is CC(CNS(=O)(=O)c1cc(Cl)cc(Cl)c1)CN1CCN(C)CC1.
What is the InChIKey of 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
The InChIKey is CJXOIIBBZHWIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2N3O2S/c1-12(11-20-5-3-19(2)4-6-20)10-18-23(21,22)15-8-13(16)7-14(17)9-15/h7-9,12,18H,3-6,10-11H2,1-2H3.
What are the key properties of 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide?
3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide has a molecular weight of 380.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 60531038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).