4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

C14H10IN3O3S2 — CID 5151234

IUPAC4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1
InChIInChI=1S/C14H10IN3O3S2/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(23(16,20)21)7-12(11)22-14/h1-7H,(H2,16,20,21)(H,17,18,19)
InChIKeyHVDPNZFPMOSWIN-UHFFFAOYSA-N
MW459.29 g/mol
LogP2.80
Rot. Bonds3

About 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide

4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide (PubChem CID 5151234) has the molecular formula C14H10IN3O3S2 and a molecular weight of 459.29 g/mol. Its IUPAC name is 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
PubChem CID5151234
Molecular FormulaC14H10IN3O3S2
Molecular Weight459.29 g/mol
Exact Mass458.92
IUPAC Name4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1
InChIInChI=1S/C14H10IN3O3S2/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(23(16,20)21)7-12(11)22-14/h1-7H,(H2,16,20,21)(H,17,18,19)
InChIKeyHVDPNZFPMOSWIN-UHFFFAOYSA-N
XLogP2.80
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.29
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 4303636
4-iodo-N-(6-piperidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 4572291
4-amino-N-[6-[[2-[(4-aminobenzoyl)amino]-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]benzamide
CID 4205104
4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 27602452
methyl 2-[(4-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate
CID 17128807
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 2308187
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 5215287
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
4-methylsulfanyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)benzamide
CID 7565342
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide
CID 43937113
N-[6-(methylsulfamoyl)-1,3-benzothiazol-2-yl]pyridine-4-carboxamide
CID 734500
(2R)-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)oxolane-2-carboxamide
CID 734498

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
The IUPAC name of 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide (CID 5151234) is 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide.
What is the SMILES notation for 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
The canonical SMILES for 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide is NS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1.
What is the InChIKey of 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
The InChIKey is HVDPNZFPMOSWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN3O3S2/c15-9-3-1-8(2-4-9)13(19)18-14-17-11-6-5-10(23(16,20)21)7-12(11)22-14/h1-7H,(H2,16,20,21)(H,17,18,19).
What are the key properties of 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide?
4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide has a molecular weight of 459.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)benzamide is sourced from PubChem (CID 5151234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).