1-(4-chloro-3-methylphenyl)sulfonylethanamine

C9H12ClNO2S — CID 117036191

IUPAC1-(4-chloro-3-methylphenyl)sulfonylethanamine
SMILESCc1cc(S(=O)(=O)C(C)N)ccc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-6-5-8(3-4-9(6)10)14(12,13)7(2)11/h3-5,7H,11H2,1-2H3
InChIKeyDGJRGTYRZXSRRA-UHFFFAOYSA-N
MW233.72 g/mol
LogP1.73
Rot. Bonds2

About 1-(4-chloro-3-methylphenyl)sulfonylethanamine

1-(4-chloro-3-methylphenyl)sulfonylethanamine (PubChem CID 117036191) has the molecular formula C9H12ClNO2S and a molecular weight of 233.72 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)sulfonylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)sulfonylethanamine
PubChem CID117036191
Molecular FormulaC9H12ClNO2S
Molecular Weight233.72 g/mol
Exact Mass233.03
IUPAC Name1-(4-chloro-3-methylphenyl)sulfonylethanamine
SMILESCc1cc(S(=O)(=O)C(C)N)ccc1Cl
InChIInChI=1S/C9H12ClNO2S/c1-6-5-8(3-4-9(6)10)14(12,13)7(2)11/h3-5,7H,11H2,1-2H3
InChIKeyDGJRGTYRZXSRRA-UHFFFAOYSA-N
XLogP1.73
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.72
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-3-methyl-N-propan-2-ylbenzenesulfonamide
CID 39845241
4-chloro-3-methylbenzenesulfonohydrazide
CID 82079936
1-chloro-4-(chloromethylsulfonyl)-2-methylbenzene
CID 117036669
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
1-(4-chloro-3-methylphenyl)sulfonylcyclopropan-1-amine
CID 117037930
4-chloro-3-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 113098372
2-chloro-5-(1-chloroethylsulfonyl)aniline
CID 22411872
1,2-dimethyl-4-propan-2-ylsulfonylbenzene
CID 58551166
2-(4-chloro-3-methylphenyl)sulfonylacetonitrile
CID 28753060
2-(4-chloro-3-methylphenyl)sulfonyl-N-methylpropan-2-amine
CID 117036804
2-(4-chloro-3-methylphenyl)sulfonylacetic acid
CID 12678153
2-(4-amino-3-methylphenyl)sulfonylpropanenitrile
CID 81182427

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylethanamine?
The IUPAC name of 1-(4-chloro-3-methylphenyl)sulfonylethanamine (CID 117036191) is 1-(4-chloro-3-methylphenyl)sulfonylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)sulfonylethanamine?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)sulfonylethanamine is Cc1cc(S(=O)(=O)C(C)N)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)sulfonylethanamine?
The InChIKey is DGJRGTYRZXSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2S/c1-6-5-8(3-4-9(6)10)14(12,13)7(2)11/h3-5,7H,11H2,1-2H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)sulfonylethanamine?
1-(4-chloro-3-methylphenyl)sulfonylethanamine has a molecular weight of 233.72 g/mol, XLogP of 1.73, 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)sulfonylethanamine is sourced from PubChem (CID 117036191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).