3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide

C14H13ClN2OS — CID 43304597

IUPAC3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSc2c(N)cccc2Cl)c1
InChIInChI=1S/C14H13ClN2OS/c15-11-5-2-6-12(16)13(11)19-8-9-3-1-4-10(7-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyWRWVBLKEGNJHHJ-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.31
Rot. Bonds4

About 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide

3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide (PubChem CID 43304597) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide
PubChem CID43304597
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide
SMILESNC(=O)c1cccc(CSc2c(N)cccc2Cl)c1
InChIInChI=1S/C14H13ClN2OS/c15-11-5-2-6-12(16)13(11)19-8-9-3-1-4-10(7-9)14(17)18/h1-7H,8,16H2,(H2,17,18)
InChIKeyWRWVBLKEGNJHHJ-UHFFFAOYSA-N
XLogP3.31
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.31
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-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzoic acid
CID 61318430
2-[(3-bromophenyl)methylsulfanyl]-3-chloroaniline
CID 43304978
3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
3-chloro-2-[(4-nitrophenyl)methylsulfanyl]aniline
CID 43304718
3-[(2-amino-1,3-thiazol-5-yl)sulfanylmethyl]benzamide
CID 24692167
3-[(4-methoxyphenyl)sulfanylmethyl]benzamide
CID 47172855
4-(2-amino-6-chlorophenyl)sulfanylbut-2-enoic acid
CID 76940801
4-amino-3-benzylsulfanylbenzamide
CID 55189643
3-[(2-amino-6-chlorophenyl)sulfanylmethyl]furan-2-carboxylic acid
CID 61318634
3-(sulfanylmethyl)benzamide
CID 118350806

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide?
The IUPAC name of 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide (CID 43304597) is 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide?
The canonical SMILES for 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide is NC(=O)c1cccc(CSc2c(N)cccc2Cl)c1.
What is the InChIKey of 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide?
The InChIKey is WRWVBLKEGNJHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-11-5-2-6-12(16)13(11)19-8-9-3-1-4-10(7-9)14(17)18/h1-7H,8,16H2,(H2,17,18).
What are the key properties of 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide?
3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide has a molecular weight of 292.79 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-6-chlorophenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 43304597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).