2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine

C16H17NO3S — CID 102569327

IUPAC2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(C2C(N)C2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-20-12-9-7-11(8-10-12)14-15(17)16(14)21(18,19)13-5-3-2-4-6-13/h2-10,14-16H,17H2,1H3
InChIKeyQZTGSBKLXUUZFV-UHFFFAOYSA-N
MW303.38 g/mol
LogP1.96
Rot. Bonds4

About 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine

2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine (PubChem CID 102569327) has the molecular formula C16H17NO3S and a molecular weight of 303.38 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
PubChem CID102569327
Molecular FormulaC16H17NO3S
Molecular Weight303.38 g/mol
Exact Mass303.09
IUPAC Name2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
SMILESCOc1ccc(C2C(N)C2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO3S/c1-20-12-9-7-11(8-10-12)14-15(17)16(14)21(18,19)13-5-3-2-4-6-13/h2-10,14-16H,17H2,1H3
InChIKeyQZTGSBKLXUUZFV-UHFFFAOYSA-N
XLogP1.96
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,2R,3S)-2-(benzenesulfonyl)-3-(4-fluorophenyl)cyclopropan-1-amine
CID 124745711
[(1R,2S,3S)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124745204
2-(4-chlorophenyl)-3-(4-chlorophenyl)sulfonylcyclopropan-1-amine
CID 102570777
(1R,2R,3R)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858604
(1R,2R,3S)-2-(benzenesulfonyl)-3-(3-fluorophenyl)cyclopropan-1-amine
CID 124858605
[(1R,2S,3S)-2-(4-chlorophenyl)sulfonyl-3-(4-methoxyphenyl)cyclopropyl]methanamine
CID 124859233
[1-amino-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 102569320
[(1R,2R,3S)-1-amino-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124857146
(1R,2R,3S)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine
CID 124748793
[(1R,2R,3S)-1-(aminomethyl)-2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropyl]methanol
CID 124746394
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
2-(benzenesulfonyl)-3-(4-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
CID 101487948

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine?
The IUPAC name of 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine (CID 102569327) is 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine?
The canonical SMILES for 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine is COc1ccc(C2C(N)C2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine?
The InChIKey is QZTGSBKLXUUZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3S/c1-20-12-9-7-11(8-10-12)14-15(17)16(14)21(18,19)13-5-3-2-4-6-13/h2-10,14-16H,17H2,1H3.
What are the key properties of 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine?
2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine has a molecular weight of 303.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-3-(4-methoxyphenyl)cyclopropan-1-amine is sourced from PubChem (CID 102569327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).