4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide

C15H15ClN2O3S2 — CID 155526221

IUPAC4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
SMILESNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCCc1ccccc1
InChIInChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
InChIKeyYEZJTTVQWKXURB-UHFFFAOYSA-N
MW370.88 g/mol
LogP2.42
Rot. Bonds6

About 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide

4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide (PubChem CID 155526221) has the molecular formula C15H15ClN2O3S2 and a molecular weight of 370.88 g/mol. Its IUPAC name is 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
PubChem CID155526221
Molecular FormulaC15H15ClN2O3S2
Molecular Weight370.88 g/mol
Exact Mass370.02
IUPAC Name4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide
SMILESNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCCc1ccccc1
InChIInChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21)
InChIKeyYEZJTTVQWKXURB-UHFFFAOYSA-N
XLogP2.42
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide?
The IUPAC name of 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide (CID 155526221) is 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide?
The canonical SMILES for 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide is NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCCc1ccccc1.
What is the InChIKey of 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide?
The InChIKey is YEZJTTVQWKXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3S2/c16-12-9-13(22-7-6-10-4-2-1-3-5-10)11(15(17)19)8-14(12)23(18,20)21/h1-5,8-9H,6-7H2,(H2,17,19)(H2,18,20,21).
What are the key properties of 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide?
4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide has a molecular weight of 370.88 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-phenylethylsulfanyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 155526221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).