N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide

C15H12ClN3O3S — CID 3681373

IUPACN-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C15H12ClN3O3S/c1-10(20)18-11-5-7-12(8-6-11)23(21,22)19-15-4-2-3-14(16)13(15)9-17/h2-8,19H,1H3,(H,18,20)
InChIKeyYYXTYKLFUPCXQA-UHFFFAOYSA-N
MW349.80 g/mol
LogP2.97
Rot. Bonds4

About N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide

N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 3681373) has the molecular formula C15H12ClN3O3S and a molecular weight of 349.80 g/mol. Its IUPAC name is N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
PubChem CID3681373
Molecular FormulaC15H12ClN3O3S
Molecular Weight349.80 g/mol
Exact Mass349.03
IUPAC NameN-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C15H12ClN3O3S/c1-10(20)18-11-5-7-12(8-6-11)23(21,22)19-15-4-2-3-14(16)13(15)9-17/h2-8,19H,1H3,(H,18,20)
InChIKeyYYXTYKLFUPCXQA-UHFFFAOYSA-N
XLogP2.97
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(5-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide
CID 154297068
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
2-[(4-acetamidophenyl)sulfonylamino]benzoate
CID 7040069
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-(methanesulfonamido)benzamide
CID 2226252
N-(3-chloro-2-hydroxyphenyl)-4-cyanobenzenesulfonamide
CID 78995732
N-[4-[(2,3-dichlorophenyl)carbamoylamino]phenyl]sulfonylacetamide
CID 4070537
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 126412707
N-[4-chloro-3-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169373284
methyl 3-[(4-acetamidophenyl)sulfonylamino]-2-methylbenzoate
CID 1290039
N-(3-chloro-2-cyanophenyl)-2,5-difluorobenzenesulfonamide
CID 125467787
N-[4-[(2-chloro-5-pyrrolidin-1-ylphenyl)sulfamoyl]phenyl]acetamide
CID 110361959
N-[4-[(4-amino-3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 8538672

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide (CID 3681373) is N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C#N)cc1.
What is the InChIKey of N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is YYXTYKLFUPCXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3S/c1-10(20)18-11-5-7-12(8-6-11)23(21,22)19-15-4-2-3-14(16)13(15)9-17/h2-8,19H,1H3,(H,18,20).
What are the key properties of N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide?
N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 349.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-chloro-2-cyanophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 3681373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).