2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide

C17H20Cl2N4O3S2 — CID 10127719

IUPAC2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ncc(CC(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C17H20Cl2N4O3S2/c1-11-7-12(18)8-14(19)16(11)28(25,26)21-17-20-10-13(27-17)9-15(24)23-5-3-22(2)4-6-23/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyLQALTWZCZYEFRH-UHFFFAOYSA-N
MW463.41 g/mol
LogP2.88
Rot. Bonds5

About 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide

2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 10127719) has the molecular formula C17H20Cl2N4O3S2 and a molecular weight of 463.41 g/mol. Its IUPAC name is 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID10127719
Molecular FormulaC17H20Cl2N4O3S2
Molecular Weight463.41 g/mol
Exact Mass462.04
IUPAC Name2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ncc(CC(=O)N2CCN(C)CC2)s1
InChIInChI=1S/C17H20Cl2N4O3S2/c1-11-7-12(18)8-14(19)16(11)28(25,26)21-17-20-10-13(27-17)9-15(24)23-5-3-22(2)4-6-23/h7-8,10H,3-6,9H2,1-2H3,(H,20,21)
InChIKeyLQALTWZCZYEFRH-UHFFFAOYSA-N
XLogP2.88
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide (CID 10127719) is 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide is Cc1cc(Cl)cc(Cl)c1S(=O)(=O)Nc1ncc(CC(=O)N2CCN(C)CC2)s1.
What is the InChIKey of 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is LQALTWZCZYEFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O3S2/c1-11-7-12(18)8-14(19)16(11)28(25,26)21-17-20-10-13(27-17)9-15(24)23-5-3-22(2)4-6-23/h7-8,10H,3-6,9H2,1-2H3,(H,20,21).
What are the key properties of 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide?
2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 463.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-methyl-N-[5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 10127719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).