N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide

C15H14N4O5S2 — CID 3442808

IUPACN-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C15H14N4O5S2/c1-10(20)16-11-6-8-12(9-7-11)25(21,22)19-17-15-13-4-2-3-5-14(13)26(23,24)18-15/h2-9,19H,1H3,(H,16,20)(H,17,18)
InChIKeyKDNQWWVTTRIFDR-UHFFFAOYSA-N
MW394.43 g/mol
LogP0.58
Rot. Bonds4

About N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide

N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide (PubChem CID 3442808) has the molecular formula C15H14N4O5S2 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide
PubChem CID3442808
Molecular FormulaC15H14N4O5S2
Molecular Weight394.43 g/mol
Exact Mass394.04
IUPAC NameN-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1
InChIInChI=1S/C15H14N4O5S2/c1-10(20)16-11-6-8-12(9-7-11)25(21,22)19-17-15-13-4-2-3-5-14(13)26(23,24)18-15/h2-9,19H,1H3,(H,16,20)(H,17,18)
InChIKeyKDNQWWVTTRIFDR-UHFFFAOYSA-N
XLogP0.58
TPSA133.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide (CID 3442808) is N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NNC2=NS(=O)(=O)c3ccccc32)cc1.
What is the InChIKey of N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide?
The InChIKey is KDNQWWVTTRIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O5S2/c1-10(20)16-11-6-8-12(9-7-11)25(21,22)19-17-15-13-4-2-3-5-14(13)26(23,24)18-15/h2-9,19H,1H3,(H,16,20)(H,17,18).
What are the key properties of N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide?
N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide has a molecular weight of 394.43 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3442808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).