N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide

C13H20ClNO3S — CID 110787616

IUPACN-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-3-4-9-19(16,17)15-8-7-11-5-6-13(18-2)12(14)10-11/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeySTKKLEXEJDYQCL-UHFFFAOYSA-N
MW305.83 g/mol
LogP2.61
Rot. Bonds8

About N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide

N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide (PubChem CID 110787616) has the molecular formula C13H20ClNO3S and a molecular weight of 305.83 g/mol. Its IUPAC name is N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
PubChem CID110787616
Molecular FormulaC13H20ClNO3S
Molecular Weight305.83 g/mol
Exact Mass305.09
IUPAC NameN-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCc1ccc(OC)c(Cl)c1
InChIInChI=1S/C13H20ClNO3S/c1-3-4-9-19(16,17)15-8-7-11-5-6-13(18-2)12(14)10-11/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeySTKKLEXEJDYQCL-UHFFFAOYSA-N
XLogP2.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide 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-[2-(3-chloro-4-ethoxyphenyl)ethyl]propane-1-sulfonamide
CID 110788917
N-[2-(3-chloro-4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788916
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
N-[(3,4-dimethoxyphenyl)methyl]butane-1-sulfonamide
CID 8891740
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
N'-[2-(3-chloro-4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 115197303
3-chloro-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide
CID 37478572
2-chloro-4-(3-chloropropyl)-1-methoxybenzene
CID 83800842
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-oxopropanamide
CID 115175874
N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]butane-1-sulfonamide
CID 110781854
N-[2-(2-chloro-4-methoxyphenyl)ethyl]propane-1-sulfonamide
CID 110789776

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide?
The IUPAC name of N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide (CID 110787616) is N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide?
The canonical SMILES for N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide is CCCCS(=O)(=O)NCCc1ccc(OC)c(Cl)c1.
What is the InChIKey of N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide?
The InChIKey is STKKLEXEJDYQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO3S/c1-3-4-9-19(16,17)15-8-7-11-5-6-13(18-2)12(14)10-11/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide?
N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide has a molecular weight of 305.83 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-4-methoxyphenyl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 110787616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).