4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide

C17H19ClN2O4S — CID 55788529

IUPAC4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-15-10-9-14(11-16(15)25(19,22)23)20-17(21)4-2-3-12-5-7-13(18)8-6-12/h5-11H,2-4H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUKDXBCNUMWCJMV-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.96
Rot. Bonds7

About 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide

4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide (PubChem CID 55788529) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
PubChem CID55788529
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H19ClN2O4S/c1-24-15-10-9-14(11-16(15)25(19,22)23)20-17(21)4-2-3-12-5-7-13(18)8-6-12/h5-11H,2-4H2,1H3,(H,20,21)(H2,19,22,23)
InChIKeyUKDXBCNUMWCJMV-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-[3-(methanesulfonamido)-4-methoxyphenyl]butanamide
CID 55828058
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(4-fluorophenyl)propanamide
CID 32749964
3-(4-chlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 25437805
3-(2-fluorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 9428553
N-(3-amino-4-methoxyphenyl)-4-(4-methoxyphenyl)butanamide
CID 119418954
3-(4-chlorophenyl)-N-(2-methoxy-5-sulfamoylphenyl)propanamide
CID 51281176
3,5-dichloro-N-(4-methoxy-3-sulfamoylphenyl)benzamide
CID 26929610
5-(heptanoylamino)-2-methoxybenzenesulfonyl chloride
CID 114752088
3-(4-chlorophenyl)sulfonyl-N-(3,4-dimethoxyphenyl)propanamide
CID 46797612
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide (CID 55788529) is 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide is COc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1S(N)(=O)=O.
What is the InChIKey of 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
The InChIKey is UKDXBCNUMWCJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-24-15-10-9-14(11-16(15)25(19,22)23)20-17(21)4-2-3-12-5-7-13(18)8-6-12/h5-11H,2-4H2,1H3,(H,20,21)(H2,19,22,23).
What are the key properties of 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide?
4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide has a molecular weight of 382.87 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)butanamide is sourced from PubChem (CID 55788529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).