4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide

C13H12ClN3O5S2 — CID 8007128

IUPAC4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
InChIKeyMASVSKIWULLJAB-UHFFFAOYSA-N
MW389.84 g/mol
LogP0.89
Rot. Bonds4

About 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide

4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide (PubChem CID 8007128) has the molecular formula C13H12ClN3O5S2 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide
PubChem CID8007128
Molecular FormulaC13H12ClN3O5S2
Molecular Weight389.84 g/mol
Exact Mass388.99
IUPAC Name4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22)
InChIKeyMASVSKIWULLJAB-UHFFFAOYSA-N
XLogP0.89
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide (CID 8007128) is 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is MASVSKIWULLJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O5S2/c14-11-6-1-8(7-12(11)24(16,21)22)13(18)17-9-2-4-10(5-3-9)23(15,19)20/h1-7H,(H,17,18)(H2,15,19,20)(H2,16,21,22).
What are the key properties of 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide?
4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 389.84 g/mol, XLogP of 0.89, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-sulfamoyl-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 8007128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).