3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

C11H16ClNO3S — CID 37477959

IUPAC3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-8(2)7-13-17(14,15)9-4-5-11(16-3)10(12)6-9/h4-6,8,13H,7H2,1-3H3
InChIKeyMFWYOCURAJAHAU-UHFFFAOYSA-N
MW277.77 g/mol
LogP2.28
Rot. Bonds5

About 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide

3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 37477959) has the molecular formula C11H16ClNO3S and a molecular weight of 277.77 g/mol. Its IUPAC name is 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
PubChem CID37477959
Molecular FormulaC11H16ClNO3S
Molecular Weight277.77 g/mol
Exact Mass277.05
IUPAC Name3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(C)C)cc1Cl
InChIInChI=1S/C11H16ClNO3S/c1-8(2)7-13-17(14,15)9-4-5-11(16-3)10(12)6-9/h4-6,8,13H,7H2,1-3H3
InChIKeyMFWYOCURAJAHAU-UHFFFAOYSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.77
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(diethylamino)propyl]-4-methoxybenzenesulfonamide
CID 112502230
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 49244513
3-chloro-N-(3-ethyl-2-hydroxypentyl)-4-methoxybenzenesulfonamide
CID 103835165
3-chloro-N-(2-hydroxy-4,4-dimethylpentyl)-4-methoxybenzenesulfonamide
CID 103835507
4-[(3-chloro-4-methoxyphenyl)sulfonylamino]-3-methoxybutanoic acid
CID 103153478
3-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)-4-methoxybenzenesulfonamide
CID 90496616
3-chloro-4-methoxy-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 110403190
4-chloro-N-(2-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 50876549
3-chloro-N-[(4-chlorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37476599
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560
3-chloro-4-methoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 73168543

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide (CID 37477959) is 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(C)C)cc1Cl.
What is the InChIKey of 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is MFWYOCURAJAHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3S/c1-8(2)7-13-17(14,15)9-4-5-11(16-3)10(12)6-9/h4-6,8,13H,7H2,1-3H3.
What are the key properties of 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide?
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 277.77 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 37477959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).