N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide

C20H24ClN3O3S — CID 651717

IUPACN-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-22-11-13-23(14-12-22)20(25)17-5-9-19(10-6-17)24(28(2,26)27)15-16-3-7-18(21)8-4-16/h3-10H,11-15H2,1-2H3
InChIKeySBJAWOIQFAOGGA-UHFFFAOYSA-N
MW421.95 g/mol
LogP2.69
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide (PubChem CID 651717) has the molecular formula C20H24ClN3O3S and a molecular weight of 421.95 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
PubChem CID651717
Molecular FormulaC20H24ClN3O3S
Molecular Weight421.95 g/mol
Exact Mass421.12
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide
SMILESCN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1
InChIInChI=1S/C20H24ClN3O3S/c1-22-11-13-23(14-12-22)20(25)17-5-9-19(10-6-17)24(28(2,26)27)15-16-3-7-18(21)8-4-16/h3-10H,11-15H2,1-2H3
InChIKeySBJAWOIQFAOGGA-UHFFFAOYSA-N
XLogP2.69
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.95
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide (CID 651717) is N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide is CN1CCN(C(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)CC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
The InChIKey is SBJAWOIQFAOGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3S/c1-22-11-13-23(14-12-22)20(25)17-5-9-19(10-6-17)24(28(2,26)27)15-16-3-7-18(21)8-4-16/h3-10H,11-15H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide has a molecular weight of 421.95 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]methanesulfonamide is sourced from PubChem (CID 651717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).