N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide

C18H17N3O4S — CID 3876416

IUPACN-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H17N3O4S/c19-13-14-3-1-5-16(11-14)20-18(22)15-4-2-6-17(12-15)26(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10H2,(H,20,22)
InChIKeyVZKIOPZWGKVCBU-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.83
Rot. Bonds4

About N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide

N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 3876416) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID3876416
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC NameN-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESN#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C18H17N3O4S/c19-13-14-3-1-5-16(11-14)20-18(22)15-4-2-6-17(12-15)26(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10H2,(H,20,22)
InChIKeyVZKIOPZWGKVCBU-UHFFFAOYSA-N
XLogP1.83
TPSA99.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-(3-cyanoanilino)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 2093007
4-chloro-N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 4849756
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
3-iodo-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 42991896
N-(4-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081958
N-(3-cyanophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2710397
N-(3,5-difluorophenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 17016205
N-[4-(2-cyanopropan-2-yl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30857520
N-(4-acetylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 1081959
N-(4-bromo-3-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 2710113
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
3,5-dichloro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4800329

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 3876416) is N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide is N#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is VZKIOPZWGKVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c19-13-14-3-1-5-16(11-14)20-18(22)15-4-2-6-17(12-15)26(23,24)21-7-9-25-10-8-21/h1-6,11-12H,7-10H2,(H,20,22).
What are the key properties of N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide?
N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 371.42 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 3876416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).