4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide

C11H15ClN2O4S — CID 15908218

IUPAC4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCCl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O4S/c1-18-8-4-5-9(10(7-8)19(13,16)17)14-11(15)3-2-6-12/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyANPDTGLNEDSYFH-UHFFFAOYSA-N
MW306.77 g/mol
LogP1.30
Rot. Bonds6

About 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide

4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide (PubChem CID 15908218) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide
PubChem CID15908218
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide
SMILESCOc1ccc(NC(=O)CCCCl)c(S(N)(=O)=O)c1
InChIInChI=1S/C11H15ClN2O4S/c1-18-8-4-5-9(10(7-8)19(13,16)17)14-11(15)3-2-6-12/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17)
InChIKeyANPDTGLNEDSYFH-UHFFFAOYSA-N
XLogP1.30
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(2-hydroxy-4-methoxyphenyl)pentanamide
CID 102695132
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2-chloro-4-methoxyphenyl)-4-methoxybutanamide
CID 86858023
methyl 3-(4-methyl-2-sulfamoylanilino)-3-oxopropanoate
CID 71146069
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2,5-dimethoxyphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 39755109
N,N'-bis(5-methoxy-2-methylphenyl)decanediamide
CID 10670784
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2-bromo-4-ethylphenyl)-4-chlorobutanamide
CID 53268191
N-(2-bromo-5-methoxyphenyl)pentanamide
CID 62416800
6-amino-N-(2-hydroxy-4-methoxyphenyl)-4,4-dimethylhexanamide
CID 102695165
methyl 3-hydroxy-4-[4-(4-methoxyphenoxy)butanoylamino]benzoate
CID 108767226

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide?
The IUPAC name of 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide (CID 15908218) is 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide is COc1ccc(NC(=O)CCCCl)c(S(N)(=O)=O)c1.
What is the InChIKey of 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide?
The InChIKey is ANPDTGLNEDSYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c1-18-8-4-5-9(10(7-8)19(13,16)17)14-11(15)3-2-6-12/h4-5,7H,2-3,6H2,1H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide?
4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide has a molecular weight of 306.77 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-2-sulfamoylphenyl)butanamide is sourced from PubChem (CID 15908218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).