4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide

C17H19ClN2O4S — CID 17485300

IUPAC4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-12-10-14(7-8-16(12)18)24-9-3-6-17(21)20-13-4-2-5-15(11-13)25(19,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyZXRPAKBNTFJUHX-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.09
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide (PubChem CID 17485300) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
PubChem CID17485300
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
SMILESCc1cc(OCCCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-12-10-14(7-8-16(12)18)24-9-3-6-17(21)20-13-4-2-5-15(11-13)25(19,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyZXRPAKBNTFJUHX-UHFFFAOYSA-N
XLogP3.09
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide
CID 26580576
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
propyl 3-[4-(4-chloro-3-methylphenoxy)butanoylamino]benzoate
CID 19191236
4-(4-chloro-3-methylphenoxy)-N-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 8892876
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
4-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-nitrophenyl)butanamide
CID 19191276
4-(4-chloro-3-methylphenoxy)-N-(2-ethylsulfonylphenyl)butanamide
CID 55613294
4-(4-chloro-3-methylphenoxy)-N-(2-hydroxy-4-methylphenyl)butanamide
CID 51552249
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(4-chloro-3-methylphenoxy)-N-(3-hexoxyphenyl)acetamide
CID 17094710
4-(4-chloro-2-methylphenoxy)-N-(3-methylsulfonylphenyl)butanamide
CID 26722725

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide (CID 17485300) is 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide is Cc1cc(OCCCC(=O)Nc2cccc(S(N)(=O)=O)c2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
The InChIKey is ZXRPAKBNTFJUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12-10-14(7-8-16(12)18)24-9-3-6-17(21)20-13-4-2-5-15(11-13)25(19,22)23/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide has a molecular weight of 382.87 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 17485300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).