N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide

C20H25ClN4O3S — CID 2670170

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)17-6-4-5-15(13-17)20(26)22-18-14-16(21)7-8-19(18)25-11-9-24(3)10-12-25/h4-8,13-14H,9-12H2,1-3H3,(H,22,26)
InChIKeyYLXJOFDLKOXOKC-UHFFFAOYSA-N
MW436.97 g/mol
LogP2.59
Rot. Bonds5

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide (PubChem CID 2670170) has the molecular formula C20H25ClN4O3S and a molecular weight of 436.97 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
PubChem CID2670170
Molecular FormulaC20H25ClN4O3S
Molecular Weight436.97 g/mol
Exact Mass436.13
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
InChIInChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)17-6-4-5-15(13-17)20(26)22-18-14-16(21)7-8-19(18)25-11-9-24(3)10-12-25/h4-8,13-14H,9-12H2,1-3H3,(H,22,26)
InChIKeyYLXJOFDLKOXOKC-UHFFFAOYSA-N
XLogP2.59
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide (CID 2670170) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is YLXJOFDLKOXOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O3S/c1-23(2)29(27,28)17-6-4-5-15(13-17)20(26)22-18-14-16(21)7-8-19(18)25-11-9-24(3)10-12-25/h4-8,13-14H,9-12H2,1-3H3,(H,22,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 436.97 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 2670170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).