4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide

C13H20ClNO4S — CID 116815790

IUPAC4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)CCCCCl)cc1
InChIInChI=1S/C13H20ClNO4S/c1-18-9-10-19-13-6-4-12(5-7-13)15-20(16,17)11-3-2-8-14/h4-7,15H,2-3,8-11H2,1H3
InChIKeyCWJVFWRTFCHYEZ-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.47
Rot. Bonds10

About 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide

4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide (PubChem CID 116815790) has the molecular formula C13H20ClNO4S and a molecular weight of 321.83 g/mol. Its IUPAC name is 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
PubChem CID116815790
Molecular FormulaC13H20ClNO4S
Molecular Weight321.83 g/mol
Exact Mass321.08
IUPAC Name4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide
SMILESCOCCOc1ccc(NS(=O)(=O)CCCCCl)cc1
InChIInChI=1S/C13H20ClNO4S/c1-18-9-10-19-13-6-4-12(5-7-13)15-20(16,17)11-3-2-8-14/h4-7,15H,2-3,8-11H2,1H3
InChIKeyCWJVFWRTFCHYEZ-UHFFFAOYSA-N
XLogP2.47
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]butane-1-sulfonamide
CID 116815594
2-[4-(3-methoxypropylsulfonylamino)phenoxy]acetic acid
CID 63772703
4-chloro-N-[4-(methanesulfonamido)phenyl]butane-1-sulfonamide
CID 116815007
4-amino-N-(4-propoxyphenyl)butane-1-sulfonamide
CID 55060020
1-(dimethylsulfamoylamino)-4-(2-methoxyethoxy)benzene
CID 110777028
3-chloro-N-[4-(dimethylamino)phenyl]propane-1-sulfonamide
CID 43654481
4-chloro-N-phenylbutane-1-sulfonamide
CID 116814759
N-[4-(2-chloroethyl)phenyl]-2-methoxyethanesulfonamide
CID 65030956
5-chloro-N-[4-(2-methoxyethoxy)phenyl]pentanamide
CID 43701603
4-chloro-N-(3,4-dimethoxyphenyl)butane-1-sulfonamide
CID 116814830
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-methoxyethanesulfonamide
CID 110300131
4-(4-chlorobutylsulfonylamino)benzenesulfonamide
CID 3018484

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide?
The IUPAC name of 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide (CID 116815790) is 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide is COCCOc1ccc(NS(=O)(=O)CCCCCl)cc1.
What is the InChIKey of 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide?
The InChIKey is CWJVFWRTFCHYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO4S/c1-18-9-10-19-13-6-4-12(5-7-13)15-20(16,17)11-3-2-8-14/h4-7,15H,2-3,8-11H2,1H3.
What are the key properties of 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide?
4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide has a molecular weight of 321.83 g/mol, XLogP of 2.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(2-methoxyethoxy)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 116815790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).