N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide

C11H12ClN3O3S — CID 3465665

IUPACN-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC#N)cc1Cl
InChIInChI=1S/C11H12ClN3O3S/c1-8(16)15-11-4-3-9(7-10(11)12)19(17,18)14-6-2-5-13/h3-4,7,14H,2,6H2,1H3,(H,15,16)
InChIKeyLGOXZCSIXXRQPW-UHFFFAOYSA-N
MW301.76 g/mol
LogP1.49
Rot. Bonds5

About N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide

N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide (PubChem CID 3465665) has the molecular formula C11H12ClN3O3S and a molecular weight of 301.76 g/mol. Its IUPAC name is N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
PubChem CID3465665
Molecular FormulaC11H12ClN3O3S
Molecular Weight301.76 g/mol
Exact Mass301.03
IUPAC NameN-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCCC#N)cc1Cl
InChIInChI=1S/C11H12ClN3O3S/c1-8(16)15-11-4-3-9(7-10(11)12)19(17,18)14-6-2-5-13/h3-4,7,14H,2,6H2,1H3,(H,15,16)
InChIKeyLGOXZCSIXXRQPW-UHFFFAOYSA-N
XLogP1.49
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[bis(2-cyanoethyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3504516
methyl 4-[(4-acetamido-3-chlorophenyl)sulfonylamino]butanoate
CID 3849516
N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3870575
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635
N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-[2-chloro-4-[(2,5-dichlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 3751983
2-chloro-5-(3-cyanopropylsulfamoyl)benzoic acid
CID 62667748
N-[2-chloro-4-[(3-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 5016142
N-[2-chloro-4-[(2-chloro-4-fluorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25038184
N-[4-(2-hydroxyethylsulfamoyl)-2-methylphenyl]acetamide
CID 58962606
N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
CID 25048781
4-(2-cyanoethylsulfamoyl)-N-(2-hydroxy-4-methylphenyl)benzamide
CID 46529163

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide (CID 3465665) is N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCCC#N)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide?
The InChIKey is LGOXZCSIXXRQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S/c1-8(16)15-11-4-3-9(7-10(11)12)19(17,18)14-6-2-5-13/h3-4,7,14H,2,6H2,1H3,(H,15,16).
What are the key properties of N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide?
N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide has a molecular weight of 301.76 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3465665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).