N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide

C15H14ClNOS — CID 107025485

IUPACN-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
SMILESCC(NC(=O)c1cccc(S)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNOS/c1-10(11-4-2-6-13(16)8-11)17-15(18)12-5-3-7-14(19)9-12/h2-10,19H,1H3,(H,17,18)
InChIKeyKDXGWQUKUCLCMQ-UHFFFAOYSA-N
MW291.80 g/mol
LogP4.12
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide

N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide (PubChem CID 107025485) has the molecular formula C15H14ClNOS and a molecular weight of 291.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
PubChem CID107025485
Molecular FormulaC15H14ClNOS
Molecular Weight291.80 g/mol
Exact Mass291.05
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide
SMILESCC(NC(=O)c1cccc(S)c1)c1cccc(Cl)c1
InChIInChI=1S/C15H14ClNOS/c1-10(11-4-2-6-13(16)8-11)17-15(18)12-5-3-7-14(19)9-12/h2-10,19H,1H3,(H,17,18)
InChIKeyKDXGWQUKUCLCMQ-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)ethyl]-4-fluorobenzamide
CID 7944591
4-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-methylbenzamide
CID 81371582
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
N-[1-(3-chlorophenyl)ethyl]-4-fluoro-3-methylbenzamide
CID 63213045
4-amino-3-chloro-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372128
N-[1-(3-chlorophenyl)ethyl]furan-3-carboxamide
CID 51264786
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
4-amino-3-bromo-N-[(1S)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372627
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
N-[1-(3-chlorophenyl)ethyl]-3,5-dinitrobenzamide
CID 78773557
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide (CID 107025485) is N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide is CC(NC(=O)c1cccc(S)c1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide?
The InChIKey is KDXGWQUKUCLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNOS/c1-10(11-4-2-6-13(16)8-11)17-15(18)12-5-3-7-14(19)9-12/h2-10,19H,1H3,(H,17,18).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide?
N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide has a molecular weight of 291.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107025485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).