2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide

C14H13ClN2O3S2 — CID 155524582

IUPAC2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide
SMILESNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCc1ccccc1
InChIInChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)
InChIKeyANNKSEHPPUSPLF-UHFFFAOYSA-N
MW356.86 g/mol
LogP2.38
Rot. Bonds5

About 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide

2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide (PubChem CID 155524582) has the molecular formula C14H13ClN2O3S2 and a molecular weight of 356.86 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide
PubChem CID155524582
Molecular FormulaC14H13ClN2O3S2
Molecular Weight356.86 g/mol
Exact Mass356.01
IUPAC Name2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide
SMILESNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCc1ccccc1
InChIInChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20)
InChIKeyANNKSEHPPUSPLF-UHFFFAOYSA-N
XLogP2.38
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide?
The IUPAC name of 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide (CID 155524582) is 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide.
What is the SMILES notation for 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide?
The canonical SMILES for 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide is NC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1SCc1ccccc1.
What is the InChIKey of 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide?
The InChIKey is ANNKSEHPPUSPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S2/c15-11-7-12(21-8-9-4-2-1-3-5-9)10(14(16)18)6-13(11)22(17,19)20/h1-7H,8H2,(H2,16,18)(H2,17,19,20).
What are the key properties of 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide?
2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide has a molecular weight of 356.86 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-chloro-5-sulfamoylbenzamide is sourced from PubChem (CID 155524582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).