4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide

C11H15ClN2O2S — CID 102670778

IUPAC4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide
SMILESCC(N)CS(=O)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-7(13)5-17(16)6-9-3-2-8(11(14)15)4-10(9)12/h2-4,7H,5-6,13H2,1H3,(H2,14,15)
InChIKeyHIPDRWHEAFNLKC-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.03
Rot. Bonds5

About 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide

4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide (PubChem CID 102670778) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide.

Molecular Properties

Compound Name4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide
PubChem CID102670778
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide
SMILESCC(N)CS(=O)Cc1ccc(C(N)=O)cc1Cl
InChIInChI=1S/C11H15ClN2O2S/c1-7(13)5-17(16)6-9-3-2-8(11(14)15)4-10(9)12/h2-4,7H,5-6,13H2,1H3,(H2,14,15)
InChIKeyHIPDRWHEAFNLKC-UHFFFAOYSA-N
XLogP1.03
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-aminophenyl)sulfinylmethyl]-3-chlorobenzamide
CID 102669633
4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide
CID 102670797
4-[[(3-amino-4-methylpentyl)-methylamino]methyl]-3-chlorobenzamide
CID 102669347
3-chloro-4-[[(1-hydroxy-3-methylbutan-2-yl)amino]methyl]benzamide
CID 102664727
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
4-[(but-3-en-2-ylamino)methyl]-3-chlorobenzamide
CID 102665091
3-chloro-4-[[1-(4-chlorophenyl)ethylamino]methyl]benzamide
CID 102664284
2-[(4-amino-2-chlorophenyl)methylsulfinyl]-N-propan-2-ylacetamide
CID 114232500
3-chloro-4-[(3-methylsulfinylpropylamino)methyl]benzamide
CID 102665106
3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
CID 102665041
3-chloro-4-[(1-hydroxybutan-2-ylamino)methyl]benzamide
CID 102664053
1-[(4-chloro-3-fluorophenyl)methylsulfinyl]propan-2-amine
CID 107889613

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide?
The IUPAC name of 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide (CID 102670778) is 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide.
What is the SMILES notation for 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide?
The canonical SMILES for 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide is CC(N)CS(=O)Cc1ccc(C(N)=O)cc1Cl.
What is the InChIKey of 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide?
The InChIKey is HIPDRWHEAFNLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7(13)5-17(16)6-9-3-2-8(11(14)15)4-10(9)12/h2-4,7H,5-6,13H2,1H3,(H2,14,15).
What are the key properties of 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide?
4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide has a molecular weight of 274.77 g/mol, XLogP of 1.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide is sourced from PubChem (CID 102670778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).