1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine

C10H12ClNO2S — CID 117037930

IUPAC1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine
SMILESCc1cc(S(=O)(=O)C2(N)CC2)ccc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-7-6-8(2-3-9(7)11)15(13,14)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKeyIOSLNPCZWOIMCQ-UHFFFAOYSA-N
MW245.73 g/mol
LogP1.87
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine

1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine (PubChem CID 117037930) has the molecular formula C10H12ClNO2S and a molecular weight of 245.73 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine
PubChem CID117037930
Molecular FormulaC10H12ClNO2S
Molecular Weight245.73 g/mol
Exact Mass245.03
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine
SMILESCc1cc(S(=O)(=O)C2(N)CC2)ccc1Cl
InChIInChI=1S/C10H12ClNO2S/c1-7-6-8(2-3-9(7)11)15(13,14)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3
InChIKeyIOSLNPCZWOIMCQ-UHFFFAOYSA-N
XLogP1.87
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine (CID 117037930) is 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine is Cc1cc(S(=O)(=O)C2(N)CC2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine?
The InChIKey is IOSLNPCZWOIMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S/c1-7-6-8(2-3-9(7)11)15(13,14)10(12)4-5-10/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine?
1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine has a molecular weight of 245.73 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine is sourced from PubChem (CID 117037930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).