N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C21H21N3O6S2 — CID 24584102

IUPACN-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H21N3O6S2/c25-21(23-17-3-1-5-20(13-17)32(28,29)24-16-8-9-16)15-6-10-19(11-7-15)31(26,27)22-14-18-4-2-12-30-18/h1-7,10-13,16,22,24H,8-9,14H2,(H,23,25)
InChIKeyQJFDIGJASDZUET-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.45
Rot. Bonds9

About N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 24584102) has the molecular formula C21H21N3O6S2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
PubChem CID24584102
Molecular FormulaC21H21N3O6S2
Molecular Weight475.55 g/mol
Exact Mass475.09
IUPAC NameN-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H21N3O6S2/c25-21(23-17-3-1-5-20(13-17)32(28,29)24-16-8-9-16)15-6-10-19(11-7-15)31(26,27)22-14-18-4-2-12-30-18/h1-7,10-13,16,22,24H,8-9,14H2,(H,23,25)
InChIKeyQJFDIGJASDZUET-UHFFFAOYSA-N
XLogP2.45
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-(trifluoromethyl)benzamide
CID 24639746
4-(furan-2-ylmethylsulfamoyl)-N-[3-(2-methylpropanoylamino)phenyl]benzamide
CID 55617154
4-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55567977
N-[3-(cyclopropylsulfamoyl)phenyl]-4-sulfamoylbenzamide
CID 24646340
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761
N-(2,3-dihydro-1H-inden-5-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 26864849
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3-chloro-4-cyclopentyloxyphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 60574699
3-(furan-2-ylmethylsulfamoyl)-N-(3-pyrrol-1-ylphenyl)benzamide
CID 55728535
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-(4-bromophenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 2909226
2-(furan-2-yl)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 86852545

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 24584102) is N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is O=C(Nc1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is QJFDIGJASDZUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6S2/c25-21(23-17-3-1-5-20(13-17)32(28,29)24-16-8-9-16)15-6-10-19(11-7-15)31(26,27)22-14-18-4-2-12-30-18/h1-7,10-13,16,22,24H,8-9,14H2,(H,23,25).
What are the key properties of N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?
N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 475.55 g/mol, XLogP of 2.45, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylsulfamoyl)phenyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 24584102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).