N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide

C15H19ClN2O3S — CID 25048781

IUPACN-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
SMILESC#CC(CC)(CC)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3S/c1-5-15(6-2,7-3)18-22(20,21)12-8-9-14(13(16)10-12)17-11(4)19/h1,8-10,18H,6-7H2,2-4H3,(H,17,19)
InChIKeySDHNDKSTRZJKOZ-UHFFFAOYSA-N
MW342.85 g/mol
LogP2.77
Rot. Bonds6

About N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide

N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 25048781) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
PubChem CID25048781
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC NameN-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide
SMILESC#CC(CC)(CC)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1
InChIInChI=1S/C15H19ClN2O3S/c1-5-15(6-2,7-3)18-22(20,21)12-8-9-14(13(16)10-12)17-11(4)19/h1,8-10,18H,6-7H2,2-4H3,(H,17,19)
InChIKeySDHNDKSTRZJKOZ-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-[(2-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 25037659
N-[2-chloro-4-(2-cyanoethylsulfamoyl)phenyl]acetamide
CID 3465665
N-[4-[(4-tert-butyl-2-chlorophenyl)sulfamoyl]-2-chlorophenyl]acetamide
CID 3817725
N-[2-chloro-4-[(2,5-dichlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 3751983
N-[2-chloro-4-(cyclopropylmethylsulfamoyl)phenyl]acetamide
CID 25038635
N-(3-ethylpent-1-yn-3-yl)-4-nitrobenzenesulfonamide
CID 19684129
2,5-dichloro-N-(3-ethylpent-1-yn-3-yl)benzenesulfonamide
CID 19684142
N-[2-chloro-4-(cyclopentylsulfamoyl)phenyl]acetamide
CID 5178972
N-[2-chloro-4-(3-propoxypropylsulfamoyl)phenyl]acetamide
CID 3870575
3-[(4-acetamido-3-chlorophenyl)sulfonylamino]-4-methylbenzoic acid
CID 25047152
N-[2-chloro-4-[(3-chlorophenyl)methylsulfamoyl]phenyl]acetamide
CID 5016142
methyl 4-[(4-acetamido-3-chlorophenyl)sulfonylamino]butanoate
CID 3849516

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide (CID 25048781) is N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide is C#CC(CC)(CC)NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is SDHNDKSTRZJKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c1-5-15(6-2,7-3)18-22(20,21)12-8-9-14(13(16)10-12)17-11(4)19/h1,8-10,18H,6-7H2,2-4H3,(H,17,19).
What are the key properties of N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide?
N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 342.85 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(3-ethylpent-1-yn-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 25048781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).