5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide

C19H14ClN3O4S2 — CID 4071248

IUPAC5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1snc2ccc(Cl)cc12
InChIInChI=1S/C19H14ClN3O4S2/c20-12-6-7-17-16(9-12)18(28-23-17)19(24)22-13-3-1-5-15(10-13)29(25,26)21-11-14-4-2-8-27-14/h1-10,21H,11H2,(H,22,24)
InChIKeyANZAMESFWYOWAF-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.27
Rot. Bonds6

About 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide

5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide (PubChem CID 4071248) has the molecular formula C19H14ClN3O4S2 and a molecular weight of 447.93 g/mol. Its IUPAC name is 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide
PubChem CID4071248
Molecular FormulaC19H14ClN3O4S2
Molecular Weight447.93 g/mol
Exact Mass447.01
IUPAC Name5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1snc2ccc(Cl)cc12
InChIInChI=1S/C19H14ClN3O4S2/c20-12-6-7-17-16(9-12)18(28-23-17)19(24)22-13-3-1-5-15(10-13)29(25,26)21-11-14-4-2-8-27-14/h1-10,21H,11H2,(H,22,24)
InChIKeyANZAMESFWYOWAF-UHFFFAOYSA-N
XLogP4.27
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55704580
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-methylthiophene-2-carboxamide
CID 35562907
1-(4-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pyrazole-4-carboxamide
CID 55786624
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24639720
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55704554
2-(3,4-dichlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 34858380
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
2-chloro-N-(4-chlorophenyl)-5-(furan-2-ylmethylsulfamoyl)benzamide
CID 25036124
2-(3-chlorophenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 55342838
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
3-(2-chlorophenyl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 35559497
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide?
The IUPAC name of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide (CID 4071248) is 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1snc2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide?
The InChIKey is ANZAMESFWYOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O4S2/c20-12-6-7-17-16(9-12)18(28-23-17)19(24)22-13-3-1-5-15(10-13)29(25,26)21-11-14-4-2-8-27-14/h1-10,21H,11H2,(H,22,24).
What are the key properties of 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide?
5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide has a molecular weight of 447.93 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-2,1-benzothiazole-3-carboxamide is sourced from PubChem (CID 4071248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).