N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide

C22H30N2O4S2 — CID 2907731

IUPACN-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2C)cc1
InChIInChI=1S/C22H30N2O4S2/c1-16-6-8-20(9-7-16)29(25,26)23(5)21-15-22(19(4)14-18(21)3)30(27,28)24-12-10-17(2)11-13-24/h6-9,14-15,17H,10-13H2,1-5H3
InChIKeyDDNXSGVEPBWMTE-UHFFFAOYSA-N
MW450.63 g/mol
LogP3.86
Rot. Bonds5

About N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide

N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide (PubChem CID 2907731) has the molecular formula C22H30N2O4S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide
PubChem CID2907731
Molecular FormulaC22H30N2O4S2
Molecular Weight450.63 g/mol
Exact Mass450.16
IUPAC NameN-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2C)cc1
InChIInChI=1S/C22H30N2O4S2/c1-16-6-8-20(9-7-16)29(25,26)23(5)21-15-22(19(4)14-18(21)3)30(27,28)24-12-10-17(2)11-13-24/h6-9,14-15,17H,10-13H2,1-5H3
InChIKeyDDNXSGVEPBWMTE-UHFFFAOYSA-N
XLogP3.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide (CID 2907731) is N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)cc2C)cc1.
What is the InChIKey of N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide?
The InChIKey is DDNXSGVEPBWMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4S2/c1-16-6-8-20(9-7-16)29(25,26)23(5)21-15-22(19(4)14-18(21)3)30(27,28)24-12-10-17(2)11-13-24/h6-9,14-15,17H,10-13H2,1-5H3.
What are the key properties of N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide?
N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide has a molecular weight of 450.63 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylphenyl]-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 2907731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).