2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide

C18H17ClN2O4S — CID 24633320

IUPAC2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C18H17ClN2O4S/c1-2-10-20-18(22)16-13-15(8-9-17(16)19)26(23,24)21-11-12-25-14-6-4-3-5-7-14/h1,3-9,13,21H,10-12H2,(H,20,22)
InChIKeyFNBRUHJAWYUYNJ-UHFFFAOYSA-N
MW392.86 g/mol
LogP2.06
Rot. Bonds8

About 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide

2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide (PubChem CID 24633320) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
PubChem CID24633320
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
SMILESC#CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl
InChIInChI=1S/C18H17ClN2O4S/c1-2-10-20-18(22)16-13-15(8-9-17(16)19)26(23,24)21-11-12-25-14-6-4-3-5-7-14/h1,3-9,13,21H,10-12H2,(H,20,22)
InChIKeyFNBRUHJAWYUYNJ-UHFFFAOYSA-N
XLogP2.06
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24625182
2-chloro-N-[2-[di(propan-2-yl)amino]ethyl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 39466987
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-(2-phenoxyethylsulfamoyl)benzamide
CID 24595727
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 41144884
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
CID 26676882
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-5-(2-phenoxyethylsulfamoyl)benzamide
CID 31411571
methyl 2-chloro-5-[2-(4-ethylphenoxy)ethylsulfamoyl]benzoate
CID 100557630
2-chloro-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 26903364
5-(furan-2-ylmethylsulfamoyl)-2-methyl-N-(2-phenoxyethyl)benzamide
CID 32934312
N-(2-benzamidoethyl)-2-chloro-5-(methylsulfamoyl)benzamide
CID 38196368
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
2-chloro-5-hydroxy-N-(3-phenoxypropyl)benzamide
CID 106501748

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide?
The IUPAC name of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide (CID 24633320) is 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide.
What is the SMILES notation for 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide?
The canonical SMILES for 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide is C#CCNC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide?
The InChIKey is FNBRUHJAWYUYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/c1-2-10-20-18(22)16-13-15(8-9-17(16)19)26(23,24)21-11-12-25-14-6-4-3-5-7-14/h1,3-9,13,21H,10-12H2,(H,20,22).
What are the key properties of 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide?
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide has a molecular weight of 392.86 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide is sourced from PubChem (CID 24633320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).