N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide

C17H14ClN3O3S — CID 7711167

IUPACN-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O3S/c1-12(22)21-15-6-4-14(5-7-15)20-11-17(10-19)25(23,24)16-8-2-13(18)3-9-16/h2-9,11,20H,1H3,(H,21,22)/b17-11+
InChIKeyHLHCPSGYPUZSLK-GZTJUZNOSA-N
MW375.84 g/mol
LogP3.55
Rot. Bonds5

About N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide

N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide (PubChem CID 7711167) has the molecular formula C17H14ClN3O3S and a molecular weight of 375.84 g/mol. Its IUPAC name is N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide
PubChem CID7711167
Molecular FormulaC17H14ClN3O3S
Molecular Weight375.84 g/mol
Exact Mass375.04
IUPAC NameN-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14ClN3O3S/c1-12(22)21-15-6-4-14(5-7-15)20-11-17(10-19)25(23,24)16-8-2-13(18)3-9-16/h2-9,11,20H,1H3,(H,21,22)/b17-11+
InChIKeyHLHCPSGYPUZSLK-GZTJUZNOSA-N
XLogP3.55
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Acetamido-4'-chlorodiphenyl sulfone
CID 246667
2-(4-Chloro-phenylsulfanyl)-N-[4-(4-methanesulfonyl-piperazin-1-yl)-phenyl]-acetamide
CID 1087191
1-[2-(4-Chlorophenyl)sulfonylethyl]-1-ethyl-3-phenylurea
CID 2818820
3-(4-chlorophenyl)sulfanyl-N-[3-(dimethylsulfamoyl)phenyl]propanamide
CID 4780661
5-(4-Chloroanilino)-4-(phenylsulfonyl)-2,4-pentadienenitrile
CID 6080250
1-(4-chlorophenyl)sulfonyl-N-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 15994795
(2Z)-2-[(4-chlorophenyl)sulfonyl]-3-[(2-fluorophenyl)amino]prop-2-enenitrile
CID 17582022
N-(4-chlorophenyl)-2-(phenylsulfonyl)acetamide
CID 892271
2-({2-[(4-chlorophenyl)sulfonyl]ethyl}thio)-N-phenylacetamide
CID 2819429
4-{[(4-chlorophenyl)sulfonyl]methylamino}-N-phenylbutanamide
CID 4661660
2-(4-chlorophenyl)sulfanyl-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 1318151
N-[4-(acetylsulfamoyl)phenyl]-2-(4-chlorophenyl)sulfanylacetamide
CID 1327534

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide (CID 7711167) is N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide?
The InChIKey is HLHCPSGYPUZSLK-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H14ClN3O3S/c1-12(22)21-15-6-4-14(5-7-15)20-11-17(10-19)25(23,24)16-8-2-13(18)3-9-16/h2-9,11,20H,1H3,(H,21,22)/b17-11+.
What are the key properties of N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide?
N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide has a molecular weight of 375.84 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(E)-2-(4-chlorophenyl)sulfonyl-2-cyanoethenyl]amino]phenyl]acetamide is sourced from PubChem (CID 7711167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).