4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide

C14H12Cl2N2O2S — CID 102670797

IUPAC4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(CS(=O)c2cc(N)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c15-11-4-3-10(17)6-13(11)21(20)7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyASBOQAUVXABNQH-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.98
Rot. Bonds4

About 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide

4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide (PubChem CID 102670797) has the molecular formula C14H12Cl2N2O2S and a molecular weight of 343.24 g/mol. Its IUPAC name is 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide
PubChem CID102670797
Molecular FormulaC14H12Cl2N2O2S
Molecular Weight343.24 g/mol
Exact Mass342.00
IUPAC Name4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide
SMILESNC(=O)c1ccc(CS(=O)c2cc(N)ccc2Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2S/c15-11-4-3-10(17)6-13(11)21(20)7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19)
InChIKeyASBOQAUVXABNQH-UHFFFAOYSA-N
XLogP2.98
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-aminophenyl)sulfinylmethyl]-3-chlorobenzamide
CID 102669633
4-chloro-3-[(5-chloro-2-fluorophenyl)methylsulfinyl]aniline
CID 103051963
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
4-[(4-amino-3-chlorophenyl)sulfinylmethyl]-3-fluorobenzamide
CID 81201890
4-chloro-3-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655124
4-(2-aminopropylsulfinylmethyl)-3-chlorobenzamide
CID 102670778
3-[(5-bromo-2-fluorophenyl)methylsulfinyl]-4-chloroaniline
CID 81201986
3-[(2-chloro-4-fluorophenyl)methylsulfinyl]-4-methylaniline
CID 81184033
4-chloro-3-[(3,5-difluorophenyl)methylsulfinyl]aniline
CID 105411637
4-chloro-3-[(2,4,6-trimethylphenyl)methylsulfinyl]aniline
CID 81201855
3-chloro-4-[(3-chlorophenyl)sulfinylmethyl]aniline
CID 62647032
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide?
The IUPAC name of 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide (CID 102670797) is 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide is NC(=O)c1ccc(CS(=O)c2cc(N)ccc2Cl)c(Cl)c1.
What is the InChIKey of 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide?
The InChIKey is ASBOQAUVXABNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2S/c15-11-4-3-10(17)6-13(11)21(20)7-9-2-1-8(14(18)19)5-12(9)16/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide?
4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide has a molecular weight of 343.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-2-chlorophenyl)sulfinylmethyl]-3-chlorobenzamide is sourced from PubChem (CID 102670797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).