N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C19H19N3O4S — CID 109063915

IUPACN-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H19N3O4S/c20-12-14-6-8-16(9-7-14)22-19(23)15-3-1-5-18(11-15)27(24,25)21-13-17-4-2-10-26-17/h1,3,5-9,11,17,21H,2,4,10,13H2,(H,22,23)
InChIKeyDGBLPNQIJAWNGW-UHFFFAOYSA-N
MW385.45 g/mol
LogP2.27
Rot. Bonds6

About N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 109063915) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID109063915
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H19N3O4S/c20-12-14-6-8-16(9-7-14)22-19(23)15-3-1-5-18(11-15)27(24,25)21-13-17-4-2-10-26-17/h1,3,5-9,11,17,21H,2,4,10,13H2,(H,22,23)
InChIKeyDGBLPNQIJAWNGW-UHFFFAOYSA-N
XLogP2.27
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
3-fluoro-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]benzamide
CID 1094225
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-3-propan-2-yloxybenzamide
CID 17147003
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
N-(9H-fluoren-2-yl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46539920
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 30711155
3-(oxolan-2-ylmethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648821
N-[(4-acetamidophenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 18207149
3-cyano-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406410
3-[[(2S)-oxolan-2-yl]methylsulfamoyl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylbenzamide
CID 25399450

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 109063915) is N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is DGBLPNQIJAWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c20-12-14-6-8-16(9-7-14)22-19(23)15-3-1-5-18(11-15)27(24,25)21-13-17-4-2-10-26-17/h1,3,5-9,11,17,21H,2,4,10,13H2,(H,22,23).
What are the key properties of N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 385.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109063915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).