4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

C15H17N3O5S2 — CID 10385283

IUPAC4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
InChIKeyDTWPVNTYGDBHCV-UHFFFAOYSA-N
MW383.45 g/mol
LogP-0.05
Rot. Bonds6

About 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide

4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 10385283) has the molecular formula C15H17N3O5S2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID10385283
Molecular FormulaC15H17N3O5S2
Molecular Weight383.45 g/mol
Exact Mass383.06
IUPAC Name4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
InChIKeyDTWPVNTYGDBHCV-UHFFFAOYSA-N
XLogP-0.05
TPSA149.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide (CID 10385283) is 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is DTWPVNTYGDBHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23).
What are the key properties of 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide?
4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 383.45 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 10385283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).