(3-cyclopropylphenyl)sulfonyl-phenylmethanamine

C16H17NO2S — CID 175011782

IUPAC(3-cyclopropylphenyl)sulfonyl-phenylmethanamine
SMILESNC(c1ccccc1)S(=O)(=O)c1cccc(C2CC2)c1
InChIInChI=1S/C16H17NO2S/c17-16(13-5-2-1-3-6-13)20(18,19)15-8-4-7-14(11-15)12-9-10-12/h1-8,11-12,16H,9-10,17H2
InChIKeyIIFMWIYLXOBABR-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.00
Rot. Bonds4

About (3-cyclopropylphenyl)sulfonyl-phenylmethanamine

(3-cyclopropylphenyl)sulfonyl-phenylmethanamine (PubChem CID 175011782) has the molecular formula C16H17NO2S and a molecular weight of 287.38 g/mol. Its IUPAC name is (3-cyclopropylphenyl)sulfonyl-phenylmethanamine.

Molecular Properties

Compound Name(3-cyclopropylphenyl)sulfonyl-phenylmethanamine
PubChem CID175011782
Molecular FormulaC16H17NO2S
Molecular Weight287.38 g/mol
Exact Mass287.10
IUPAC Name(3-cyclopropylphenyl)sulfonyl-phenylmethanamine
SMILESNC(c1ccccc1)S(=O)(=O)c1cccc(C2CC2)c1
InChIInChI=1S/C16H17NO2S/c17-16(13-5-2-1-3-6-13)20(18,19)15-8-4-7-14(11-15)12-9-10-12/h1-8,11-12,16H,9-10,17H2
InChIKeyIIFMWIYLXOBABR-UHFFFAOYSA-N
XLogP3.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-Benzenesulfonyl)phenyl-1-aminoethane
CID 11849199
2-(Benzenesulfonyl)-2-phenylethan-1-amine hydrochloride
CID 145874738
(4-Fluorophenyl)(3-methanesulfonylphenyl)methanamine
CID 24689038
(3-Methanesulfonylphenyl)(4-methylphenyl)methanamine
CID 24689071
alpha-(3-Methylsulfonylphenyl)benzylamine
CID 24689082
(4-Ethylphenyl)(3-methanesulfonylphenyl)methanamine
CID 43197632
(2,4-Dimethylphenyl)(3-methanesulfonylphenyl)methanamine
CID 43198499
3-methyl-N-[[3-(methylsulfonylmethyl)phenyl]methyl]benzenesulfonamide
CID 51130421
[3-(Ethanesulfonyl)phenyl]methanamine
CID 28796746
[3-(Ethanesulfonyl)phenyl]methanamine hydrochloride
CID 91662841
2-(Benzenesulfonyl)-1-phenylethanamine
CID 12600202
Aminobenzylsulfon
CID 89785131

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylphenyl)sulfonyl-phenylmethanamine?
The IUPAC name of (3-cyclopropylphenyl)sulfonyl-phenylmethanamine (CID 175011782) is (3-cyclopropylphenyl)sulfonyl-phenylmethanamine.
What is the SMILES notation for (3-cyclopropylphenyl)sulfonyl-phenylmethanamine?
The canonical SMILES for (3-cyclopropylphenyl)sulfonyl-phenylmethanamine is NC(c1ccccc1)S(=O)(=O)c1cccc(C2CC2)c1.
What is the InChIKey of (3-cyclopropylphenyl)sulfonyl-phenylmethanamine?
The InChIKey is IIFMWIYLXOBABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2S/c17-16(13-5-2-1-3-6-13)20(18,19)15-8-4-7-14(11-15)12-9-10-12/h1-8,11-12,16H,9-10,17H2.
What are the key properties of (3-cyclopropylphenyl)sulfonyl-phenylmethanamine?
(3-cyclopropylphenyl)sulfonyl-phenylmethanamine has a molecular weight of 287.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylphenyl)sulfonyl-phenylmethanamine is sourced from PubChem (CID 175011782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).