(2-chlorophenyl)-methylsulfonylmethanamine

C8H10ClNO2S — CID 174584562

IUPAC(2-chlorophenyl)-methylsulfonylmethanamine
SMILESCS(=O)(=O)C(N)c1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-13(11,12)8(10)6-4-2-3-5-7(6)9/h2-5,8H,10H2,1H3
InChIKeyHNNIRGQKJNFUDU-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.34
Rot. Bonds2

About (2-chlorophenyl)-methylsulfonylmethanamine

(2-chlorophenyl)-methylsulfonylmethanamine (PubChem CID 174584562) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is (2-chlorophenyl)-methylsulfonylmethanamine.

Molecular Properties

Compound Name(2-chlorophenyl)-methylsulfonylmethanamine
PubChem CID174584562
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name(2-chlorophenyl)-methylsulfonylmethanamine
SMILESCS(=O)(=O)C(N)c1ccccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-13(11,12)8(10)6-4-2-3-5-7(6)9/h2-5,8H,10H2,1H3
InChIKeyHNNIRGQKJNFUDU-UHFFFAOYSA-N
XLogP1.34
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-methylsulfonylmethanamine?
The IUPAC name of (2-chlorophenyl)-methylsulfonylmethanamine (CID 174584562) is (2-chlorophenyl)-methylsulfonylmethanamine.
What is the SMILES notation for (2-chlorophenyl)-methylsulfonylmethanamine?
The canonical SMILES for (2-chlorophenyl)-methylsulfonylmethanamine is CS(=O)(=O)C(N)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-methylsulfonylmethanamine?
The InChIKey is HNNIRGQKJNFUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-13(11,12)8(10)6-4-2-3-5-7(6)9/h2-5,8H,10H2,1H3.
What are the key properties of (2-chlorophenyl)-methylsulfonylmethanamine?
(2-chlorophenyl)-methylsulfonylmethanamine has a molecular weight of 219.69 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-methylsulfonylmethanamine is sourced from PubChem (CID 174584562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).