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

C15H22ClN3O4S — CID 1259944

IUPAC3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-17-6-8-19(9-7-17)15(20)11-18(2)24(21,22)12-4-5-14(23-3)13(16)10-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyULZZKPPZSLTKTI-UHFFFAOYSA-N
MW375.88 g/mol
LogP0.74
Rot. Bonds5

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

3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (PubChem CID 1259944) has the molecular formula C15H22ClN3O4S and a molecular weight of 375.88 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
PubChem CID1259944
Molecular FormulaC15H22ClN3O4S
Molecular Weight375.88 g/mol
Exact Mass375.10
IUPAC Name3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C15H22ClN3O4S/c1-17-6-8-19(9-7-17)15(20)11-18(2)24(21,22)12-4-5-14(23-3)13(16)10-12/h4-5,10H,6-9,11H2,1-3H3
InChIKeyULZZKPPZSLTKTI-UHFFFAOYSA-N
XLogP0.74
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide (CID 1259944) is 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
The InChIKey is ULZZKPPZSLTKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O4S/c1-17-6-8-19(9-7-17)15(20)11-18(2)24(21,22)12-4-5-14(23-3)13(16)10-12/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide?
3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide has a molecular weight of 375.88 g/mol, XLogP of 0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 1259944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).