3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide

C16H20N2O2S — CID 43761251

IUPAC3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
SMILESCC(C)C(Nc1cccc(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)16(13-7-4-3-5-8-13)18-14-9-6-10-15(11-14)21(17,19)20/h3-12,16,18H,1-2H3,(H2,17,19,20)
InChIKeyXAKFMWYRVVVMEO-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.14
Rot. Bonds5

About 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide

3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide (PubChem CID 43761251) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
PubChem CID43761251
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
SMILESCC(C)C(Nc1cccc(S(N)(=O)=O)c1)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)16(13-7-4-3-5-8-13)18-14-9-6-10-15(11-14)21(17,19)20/h3-12,16,18H,1-2H3,(H2,17,19,20)
InChIKeyXAKFMWYRVVVMEO-UHFFFAOYSA-N
XLogP3.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide?
The IUPAC name of 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide (CID 43761251) is 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide.
What is the SMILES notation for 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide?
The canonical SMILES for 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide is CC(C)C(Nc1cccc(S(N)(=O)=O)c1)c1ccccc1.
What is the InChIKey of 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide?
The InChIKey is XAKFMWYRVVVMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)16(13-7-4-3-5-8-13)18-14-9-6-10-15(11-14)21(17,19)20/h3-12,16,18H,1-2H3,(H2,17,19,20).
What are the key properties of 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide?
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide is sourced from PubChem (CID 43761251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).