3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide

C16H20N2O2S — CID 43587419

IUPAC3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCN(CCCc1ccccc1)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C16H20N2O2S/c1-18(12-6-9-14-7-3-2-4-8-14)21(19,20)16-11-5-10-15(17)13-16/h2-5,7-8,10-11,13H,6,9,12,17H2,1H3
InChIKeyPPXXOTNYHTVPFX-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.52
Rot. Bonds6

About 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide

3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide (PubChem CID 43587419) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
PubChem CID43587419
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide
SMILESCN(CCCc1ccccc1)S(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C16H20N2O2S/c1-18(12-6-9-14-7-3-2-4-8-14)21(19,20)16-11-5-10-15(17)13-16/h2-5,7-8,10-11,13H,6,9,12,17H2,1H3
InChIKeyPPXXOTNYHTVPFX-UHFFFAOYSA-N
XLogP2.52
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-(5-phenylpentyl)benzenesulfonamide
CID 22024838
3-(aminomethyl)-N-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 65486467
2-chloro-N-methyl-N-(3-phenylpropyl)pyridine-4-sulfonamide
CID 61053398
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
4-amino-N-methyl-N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 61301532
3-N-methyl-3-N-(4-phenylbutyl)benzene-1,3-diamine
CID 114333894
3-amino-N-[(4-bromophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105920
3-amino-N-[(4-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105923
3-amino-N-[(2-chlorophenyl)methyl]-N-methylbenzenesulfonamide
CID 61105167
3-amino-N-benzyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 61111629
N-(3-aminophenyl)-N-(2-phenylethyl)methanesulfonamide
CID 67218094
3-amino-N-benzyl-N-(cyanomethyl)benzenesulfonamide
CID 61127015

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The IUPAC name of 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide (CID 43587419) is 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide is CN(CCCc1ccccc1)S(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide?
The InChIKey is PPXXOTNYHTVPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-18(12-6-9-14-7-3-2-4-8-14)21(19,20)16-11-5-10-15(17)13-16/h2-5,7-8,10-11,13H,6,9,12,17H2,1H3.
What are the key properties of 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide?
3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(3-phenylpropyl)benzenesulfonamide is sourced from PubChem (CID 43587419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).