2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

C16H17ClN2O6S2 — CID 126507863

IUPAC2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H2,18,23,24)
InChIKeyPCIBFBDEVBBIFN-UHFFFAOYSA-N
MW432.91 g/mol
LogP1.20
Rot. Bonds7

About 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide

2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (PubChem CID 126507863) has the molecular formula C16H17ClN2O6S2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
PubChem CID126507863
Molecular FormulaC16H17ClN2O6S2
Molecular Weight432.91 g/mol
Exact Mass432.02
IUPAC Name2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide
SMILESCOCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H2,18,23,24)
InChIKeyPCIBFBDEVBBIFN-UHFFFAOYSA-N
XLogP1.20
TPSA132.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The IUPAC name of 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide (CID 126507863) is 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide.
What is the SMILES notation for 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The canonical SMILES for 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is COCCNC(=O)c1cc(S(N)(=O)=O)c(Cl)cc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
The InChIKey is PCIBFBDEVBBIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O6S2/c1-25-8-7-19-16(20)12-9-15(27(18,23)24)13(17)10-14(12)26(21,22)11-5-3-2-4-6-11/h2-6,9-10H,7-8H2,1H3,(H,19,20)(H2,18,23,24).
What are the key properties of 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide?
2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide has a molecular weight of 432.91 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-4-chloro-N-(2-methoxyethyl)-5-sulfamoylbenzamide is sourced from PubChem (CID 126507863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).