N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide

C13H14ClNO3S — CID 90575051

IUPACN-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC#CCOc1ccccc1Cl)C1CC1
InChIInChI=1S/C13H14ClNO3S/c14-12-5-1-2-6-13(12)18-10-4-3-9-15-19(16,17)11-7-8-11/h1-2,5-6,11,15H,7-10H2
InChIKeyJBKXVFPRUAYTOH-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.80
Rot. Bonds5

About N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide

N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide (PubChem CID 90575051) has the molecular formula C13H14ClNO3S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide
PubChem CID90575051
Molecular FormulaC13H14ClNO3S
Molecular Weight299.78 g/mol
Exact Mass299.04
IUPAC NameN-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide
SMILESO=S(=O)(NCC#CCOc1ccccc1Cl)C1CC1
InChIInChI=1S/C13H14ClNO3S/c14-12-5-1-2-6-13(12)18-10-4-3-9-15-19(16,17)11-7-8-11/h1-2,5-6,11,15H,7-10H2
InChIKeyJBKXVFPRUAYTOH-UHFFFAOYSA-N
XLogP1.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide 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

N-[4-(2-fluorophenoxy)but-2-ynyl]cyclohexanesulfonamide
CID 90574717
N-[4-(2-chlorophenoxy)but-2-ynyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90575054
N-[4-(2-chlorophenoxy)but-2-ynyl]-1-(3-fluorophenyl)methanesulfonamide
CID 90575062
4-chloro-N-[4-(2-chlorophenoxy)but-2-ynyl]benzamide
CID 90574833
N-[4-(2-chlorophenoxy)but-2-ynyl]-2,2-diphenylacetamide
CID 90574886
N-[4-(2-chlorophenoxy)but-2-ynyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 90575075
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-dimethoxybenzamide
CID 90574822
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90574825
N-[4-(2-methoxyphenoxy)but-2-ynyl]ethanesulfonamide
CID 90575710
1-benzhydryl-3-[4-(2-chlorophenoxy)but-2-ynyl]urea
CID 90575002
N-[4-(2-chlorophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90574890
5-bromo-N-[4-(2-chlorophenoxy)but-2-ynyl]furan-2-carboxamide
CID 90574896

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide (CID 90575051) is N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide is O=S(=O)(NCC#CCOc1ccccc1Cl)C1CC1.
What is the InChIKey of N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide?
The InChIKey is JBKXVFPRUAYTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3S/c14-12-5-1-2-6-13(12)18-10-4-3-9-15-19(16,17)11-7-8-11/h1-2,5-6,11,15H,7-10H2.
What are the key properties of N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide?
N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenoxy)but-2-ynyl]cyclopropanesulfonamide is sourced from PubChem (CID 90575051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).