N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide

C14H8BrClN2OS — CID 107801633

IUPACN-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C14H8BrClN2OS/c15-9-2-1-8(7-17)13(5-9)18-14(19)11-6-10(20)3-4-12(11)16/h1-6,20H,(H,18,19)
InChIKeyKFBQDNHSVXLCNG-UHFFFAOYSA-N
MW367.66 g/mol
LogP4.52
Rot. Bonds2

About N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide

N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide (PubChem CID 107801633) has the molecular formula C14H8BrClN2OS and a molecular weight of 367.66 g/mol. Its IUPAC name is N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide.

Molecular Properties

Compound NameN-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
PubChem CID107801633
Molecular FormulaC14H8BrClN2OS
Molecular Weight367.66 g/mol
Exact Mass365.92
IUPAC NameN-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide
SMILESN#Cc1ccc(Br)cc1NC(=O)c1cc(S)ccc1Cl
InChIInChI=1S/C14H8BrClN2OS/c15-9-2-1-8(7-17)13(5-9)18-14(19)11-6-10(20)3-4-12(11)16/h1-6,20H,(H,18,19)
InChIKeyKFBQDNHSVXLCNG-UHFFFAOYSA-N
XLogP4.52
TPSA52.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.66
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-cyanophenyl)-2,3-dichlorobenzamide
CID 104880179
4-amino-N-(5-bromo-2-cyanophenyl)-2-chlorobenzamide
CID 107796924
N-(5-bromo-2-cyanophenyl)-4-chloro-2,5-difluorobenzamide
CID 104880416
2-bromo-N-(4-bromo-2-cyanophenyl)-5-sulfanylbenzamide
CID 107033611
4-bromo-N-(5-bromo-2-cyanophenyl)benzamide
CID 104880230
N-(5-bromo-2-cyanophenyl)-2,6-dichloropyridine-3-carboxamide
CID 104880244
N-(5-bromo-2-cyanophenyl)-5-chloro-2-(methylamino)benzamide
CID 107801239
3-bromo-N-(5-bromo-2-cyanophenyl)-5-chlorobenzamide
CID 107938883
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
4-amino-N-(5-bromo-2-cyanophenyl)-3-chlorobenzamide
CID 107796977
2-bromo-N-(2-chloro-5-cyanophenyl)-5-sulfanylbenzamide
CID 107032754
N-(5-bromo-2-cyanophenyl)-5-chloro-2-methoxybenzamide
CID 104880310

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide?
The IUPAC name of N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide (CID 107801633) is N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide.
What is the SMILES notation for N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide?
The canonical SMILES for N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide is N#Cc1ccc(Br)cc1NC(=O)c1cc(S)ccc1Cl.
What is the InChIKey of N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide?
The InChIKey is KFBQDNHSVXLCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2OS/c15-9-2-1-8(7-17)13(5-9)18-14(19)11-6-10(20)3-4-12(11)16/h1-6,20H,(H,18,19).
What are the key properties of N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide?
N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide has a molecular weight of 367.66 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-cyanophenyl)-2-chloro-5-sulfanylbenzamide is sourced from PubChem (CID 107801633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).