N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

C18H18Cl2N2O4S — CID 25490032

IUPACN-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H18Cl2N2O4S/c19-15-4-1-5-16(17(15)20)22-18(23)12-6-8-14(9-7-12)27(24,25)21-11-13-3-2-10-26-13/h1,4-9,13,21H,2-3,10-11H2,(H,22,23)/t13-/m0/s1
InChIKeyNDYGTLQFZIINDT-ZDUSSCGKSA-N
MW429.33 g/mol
LogP3.70
Rot. Bonds6

About N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide

N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (PubChem CID 25490032) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
PubChem CID25490032
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC NameN-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
SMILESO=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1
InChIInChI=1S/C18H18Cl2N2O4S/c19-15-4-1-5-16(17(15)20)22-18(23)12-6-8-14(9-7-12)27(24,25)21-11-13-3-2-10-26-13/h1,4-9,13,21H,2-3,10-11H2,(H,22,23)/t13-/m0/s1
InChIKeyNDYGTLQFZIINDT-ZDUSSCGKSA-N
XLogP3.70
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428408
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428385
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109060029
2,6-dichloro-N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]benzamide
CID 3158279
methyl 2-hydroxy-3-[[4-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]benzoate
CID 56543442
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(2-phenoxyphenyl)benzamide
CID 25412976
N-(2,4-dimethylphenyl)-4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 1428381
N-(5-chloro-2-methoxyphenyl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 3193347
N-cyclopropyl-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51163666
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoic acid
CID 796841
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-[(3-chlorophenyl)methyl]-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9165383

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide (CID 25490032) is N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is O=C(Nc1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
The InChIKey is NDYGTLQFZIINDT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c19-15-4-1-5-16(17(15)20)22-18(23)12-6-8-14(9-7-12)27(24,25)21-11-13-3-2-10-26-13/h1,4-9,13,21H,2-3,10-11H2,(H,22,23)/t13-/m0/s1.
What are the key properties of N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide?
N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide has a molecular weight of 429.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide is sourced from PubChem (CID 25490032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).