2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide

C20H28N2O2S — CID 53466534

IUPAC2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)13-21-14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)25(23,24)22-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKeyVYLGOZBQIOSNNK-UHFFFAOYSA-N
MW360.52 g/mol
LogP3.79
Rot. Bonds8

About 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide

2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 53466534) has the molecular formula C20H28N2O2S and a molecular weight of 360.52 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID53466534
Molecular FormulaC20H28N2O2S
Molecular Weight360.52 g/mol
Exact Mass360.19
IUPAC Name2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1
InChIInChI=1S/C20H28N2O2S/c1-15(2)13-21-14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)25(23,24)22-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
InChIKeyVYLGOZBQIOSNNK-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide (CID 53466534) is 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide is CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)NC(C)C)cc1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is VYLGOZBQIOSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2S/c1-15(2)13-21-14-17-9-11-18(12-10-17)19-7-5-6-8-20(19)25(23,24)22-16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3.
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide?
2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 360.52 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]phenyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 53466534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).