1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea

C14H11FN4O3S2 — CID 9438152

IUPAC1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H11FN4O3S2/c15-8-1-3-9(4-2-8)17-13(20)19-14-18-11-6-5-10(24(16,21)22)7-12(11)23-14/h1-7H,(H2,16,21,22)(H2,17,18,19,20)
InChIKeyQUYQFUKMMWQSHB-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.73
Rot. Bonds3

About 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea

1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea (PubChem CID 9438152) has the molecular formula C14H11FN4O3S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea
PubChem CID9438152
Molecular FormulaC14H11FN4O3S2
Molecular Weight366.40 g/mol
Exact Mass366.03
IUPAC Name1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea
SMILESNS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1
InChIInChI=1S/C14H11FN4O3S2/c15-8-1-3-9(4-2-8)17-13(20)19-14-18-11-6-5-10(24(16,21)22)7-12(11)23-14/h1-7H,(H2,16,21,22)(H2,17,18,19,20)
InChIKeyQUYQFUKMMWQSHB-UHFFFAOYSA-N
XLogP2.73
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-Benzothiazolamine, 6-(methylsulfonyl)-
CID 87152
N-(4-fluorophenyl)-1,3-benzothiazol-2-amine
CID 2360905
Anilinobenzothiazole
CID 230981
2-Amino-1,3-benzothiazole-6-sulfonamide
CID 734502
N-[4-(1,3-benzothiazol-2-ylsulfamoyl)phenyl]acetamide
CID 541218
1-(1,3-Benzothiazol-2-yl)-3-phenylurea
CID 726342
1-(1,3-Benzothiazol-2-yl)-3-(2,4-difluorophenyl)urea
CID 929625
2-Aminobenzothiazole-6-sulphonic acid
CID 89112
1-(1,3-Benzothiazol-2-yl)-3-cyclohexylurea
CID 762207
N-(2-fluorophenyl)-N'-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]urea
CID 2242090
2-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 4880510
6-fluoro-N-phenyl-1,3-benzothiazol-2-amine
CID 7086354

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea (CID 9438152) is 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea is NS(=O)(=O)c1ccc2nc(NC(=O)Nc3ccc(F)cc3)sc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea?
The InChIKey is QUYQFUKMMWQSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3S2/c15-8-1-3-9(4-2-8)17-13(20)19-14-18-11-6-5-10(24(16,21)22)7-12(11)23-14/h1-7H,(H2,16,21,22)(H2,17,18,19,20).
What are the key properties of 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea?
1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea has a molecular weight of 366.40 g/mol, XLogP of 2.73, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(6-sulfamoyl-1,3-benzothiazol-2-yl)urea is sourced from PubChem (CID 9438152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).