N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide

C20H28N2O2S — CID 71892207

IUPACN,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)18-8-6-17(7-9-18)14-21-16(3)19-10-12-20(13-11-19)25(23,24)22(4)5/h6-13,15-16,21H,14H2,1-5H3
InChIKeyBGMNXNZJEONVAW-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.91
Rot. Bonds7

About N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide

N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide (PubChem CID 71892207) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
PubChem CID71892207
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC NameN,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
SMILESCC(C)c1ccc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)18-8-6-17(7-9-18)14-21-16(3)19-10-12-20(13-11-19)25(23,24)22(4)5/h6-13,15-16,21H,14H2,1-5H3
InChIKeyBGMNXNZJEONVAW-UHFFFAOYSA-N
XLogP3.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide (CID 71892207) is N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide is CC(C)c1ccc(CNC(C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
The InChIKey is BGMNXNZJEONVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-15(2)18-8-6-17(7-9-18)14-21-16(3)19-10-12-20(13-11-19)25(23,24)22(4)5/h6-13,15-16,21H,14H2,1-5H3.
What are the key properties of N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide?
N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 71892207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).