5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide

C13H13ClN2O4S — CID 32766645

IUPAC5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C13H13ClN2O4S/c14-12-6-5-11(20-12)13(17)16-7-9-1-3-10(4-2-9)8-21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyBCBMFNJVKZGGLL-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.65
Rot. Bonds5

About 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide

5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide (PubChem CID 32766645) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
PubChem CID32766645
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide
SMILESNS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C13H13ClN2O4S/c14-12-6-5-11(20-12)13(17)16-7-9-1-3-10(4-2-9)8-21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19)
InChIKeyBCBMFNJVKZGGLL-UHFFFAOYSA-N
XLogP1.65
TPSA102.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
5-chloro-N-[(3,4-difluorophenyl)methyl]furan-2-carboxamide
CID 103612091
5-chloro-N-(1H-pyrrol-3-ylmethyl)furan-2-carboxamide
CID 106385033
5-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]furan-2-carboxamide
CID 29475175
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
CID 86986285
3,5-dimethyl-N-[[4-(sulfamoylmethyl)phenyl]methyl]-1,2-oxazole-4-carboxamide
CID 75459913
5-[[(5-chlorofuran-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81098591
5-chloro-N-(2-chloropropyl)furan-2-carboxamide
CID 106689974
N-benzyl-5-[(4-bromophenyl)sulfonylmethyl]furan-2-carboxamide
CID 20859597
N-(3-amino-2-hydroxy-3-oxopropyl)-5-chlorofuran-2-carboxamide
CID 107260877
5-chloro-N-(2-hydroxy-2-methylpropyl)furan-2-carboxamide
CID 65109429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
The IUPAC name of 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide (CID 32766645) is 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide is NS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
The InChIKey is BCBMFNJVKZGGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-12-6-5-11(20-12)13(17)16-7-9-1-3-10(4-2-9)8-21(15,18)19/h1-6H,7-8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide?
5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide has a molecular weight of 328.78 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[4-(sulfamoylmethyl)phenyl]methyl]furan-2-carboxamide is sourced from PubChem (CID 32766645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).