5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide

C19H26ClN3O6S2 — CID 55666487

IUPAC5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)ccc1Cl
InChIInChI=1S/C19H26ClN3O6S2/c1-6-23(7-2)31(27,28)16-12-13(8-9-14(16)20)21-18(24)15-10-11-17(29-15)30(25,26)22-19(3,4)5/h8-12,22H,6-7H2,1-5H3,(H,21,24)
InChIKeyNAVGOXAVNFTASI-UHFFFAOYSA-N
MW492.02 g/mol
LogP3.29
Rot. Bonds8

About 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide

5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide (PubChem CID 55666487) has the molecular formula C19H26ClN3O6S2 and a molecular weight of 492.02 g/mol. Its IUPAC name is 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide
PubChem CID55666487
Molecular FormulaC19H26ClN3O6S2
Molecular Weight492.02 g/mol
Exact Mass491.10
IUPAC Name5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)ccc1Cl
InChIInChI=1S/C19H26ClN3O6S2/c1-6-23(7-2)31(27,28)16-12-13(8-9-14(16)20)21-18(24)15-10-11-17(29-15)30(25,26)22-19(3,4)5/h8-12,22H,6-7H2,1-5H3,(H,21,24)
InChIKeyNAVGOXAVNFTASI-UHFFFAOYSA-N
XLogP3.29
TPSA125.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide (CID 55666487) is 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)ccc1Cl.
What is the InChIKey of 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide?
The InChIKey is NAVGOXAVNFTASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O6S2/c1-6-23(7-2)31(27,28)16-12-13(8-9-14(16)20)21-18(24)15-10-11-17(29-15)30(25,26)22-19(3,4)5/h8-12,22H,6-7H2,1-5H3,(H,21,24).
What are the key properties of 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide?
5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide has a molecular weight of 492.02 g/mol, XLogP of 3.29, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylsulfamoyl)-N-[4-chloro-3-(diethylsulfamoyl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 55666487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).