4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide

C14H16ClN3O4S — CID 155451989

IUPAC4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1NCc1ccco1
InChIInChI=1S/C14H16ClN3O4S/c1-16-14(19)10-6-13(23(20,21)17-2)11(15)7-12(10)18-8-9-4-3-5-22-9/h3-7,17-18H,8H2,1-2H3,(H,16,19)
InChIKeyQPXPVQXFSWFIDM-UHFFFAOYSA-N
MW357.82 g/mol
LogP1.81
Rot. Bonds6

About 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide

4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide (PubChem CID 155451989) has the molecular formula C14H16ClN3O4S and a molecular weight of 357.82 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide
PubChem CID155451989
Molecular FormulaC14H16ClN3O4S
Molecular Weight357.82 g/mol
Exact Mass357.06
IUPAC Name4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide
SMILESCNC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1NCc1ccco1
InChIInChI=1S/C14H16ClN3O4S/c1-16-14(19)10-6-13(23(20,21)17-2)11(15)7-12(10)18-8-9-4-3-5-22-9/h3-7,17-18H,8H2,1-2H3,(H,16,19)
InChIKeyQPXPVQXFSWFIDM-UHFFFAOYSA-N
XLogP1.81
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.82
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Furosemide
CID 3440
4-Chloro-2-[(furan-2-ylmethyl)ammonio]-5-sulfamoylbenzoate
CID 118985385
2-chloro-N-(furan-2-ylmethyl)-5-[(2-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2565072
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-(furan-2-ylmethyl)benzamide
CID 3271562
Sodium furosemide
CID 23673593
N-(2-furylmethyl)-2-{[N-(2-methylphenyl)-N-(phenylsulfonyl)glycyl]amino}benzamide
CID 1316030
2-{benzyl[(4-methylphenyl)sulfonyl]amino}-N-(2-furylmethyl)benzamide
CID 1367993
4-chloro-3-(furan-2-ylmethylsulfamoyl)-N-(2-methoxyphenyl)benzamide
CID 2087030
2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2106784
3-[(3-chlorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
CID 2396097
2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
2-chloro-N-(furan-2-ylmethyl)-5-[(4-methylsulfonylphenyl)sulfamoyl]benzamide
CID 2471024

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide (CID 155451989) is 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide is CNC(=O)c1cc(S(=O)(=O)NC)c(Cl)cc1NCc1ccco1.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
The InChIKey is QPXPVQXFSWFIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O4S/c1-16-14(19)10-6-13(23(20,21)17-2)11(15)7-12(10)18-8-9-4-3-5-22-9/h3-7,17-18H,8H2,1-2H3,(H,16,19).
What are the key properties of 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide?
4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide has a molecular weight of 357.82 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylamino)-N-methyl-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 155451989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).