2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

C15H15N5O5S3 — CID 122182647

IUPAC2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1
InChIInChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21)
InChIKeyCUUCLHRCIMVYFM-UHFFFAOYSA-N
MW441.52 g/mol
LogP0.64
Rot. Bonds6

About 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide

2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (PubChem CID 122182647) has the molecular formula C15H15N5O5S3 and a molecular weight of 441.52 g/mol. Its IUPAC name is 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
PubChem CID122182647
Molecular FormulaC15H15N5O5S3
Molecular Weight441.52 g/mol
Exact Mass441.02
IUPAC Name2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide
SMILESNS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1
InChIInChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21)
InChIKeyCUUCLHRCIMVYFM-UHFFFAOYSA-N
XLogP0.64
TPSA174.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.52
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide (CID 122182647) is 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is NS(=O)(=O)c1ccc(NCC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1.
What is the InChIKey of 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is CUUCLHRCIMVYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O5S3/c16-27(22,23)10-3-1-9(2-4-10)18-8-14(21)20-15-19-12-6-5-11(28(17,24)25)7-13(12)26-15/h1-7,18H,8H2,(H2,16,22,23)(H2,17,24,25)(H,19,20,21).
What are the key properties of 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide?
2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 441.52 g/mol, XLogP of 0.64, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylanilino)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 122182647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).