3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride

C11H16ClNO5S2 — CID 43322394

IUPAC3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
SMILESCCCCS(=O)(=O)Nc1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C11H16ClNO5S2/c1-3-4-7-19(14,15)13-10-8-9(20(12,16)17)5-6-11(10)18-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyLHDIDASLXOGQJA-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.16
Rot. Bonds7

About 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride

3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride (PubChem CID 43322394) has the molecular formula C11H16ClNO5S2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
PubChem CID43322394
Molecular FormulaC11H16ClNO5S2
Molecular Weight341.84 g/mol
Exact Mass341.02
IUPAC Name3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
SMILESCCCCS(=O)(=O)Nc1cc(S(=O)(=O)Cl)ccc1OC
InChIInChI=1S/C11H16ClNO5S2/c1-3-4-7-19(14,15)13-10-8-9(20(12,16)17)5-6-11(10)18-2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyLHDIDASLXOGQJA-UHFFFAOYSA-N
XLogP2.16
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(5-chloro-2-methoxyphenyl)-3-(propylamino)propane-1-sulfonamide
CID 106059590
N-(5-chloro-2-methoxyphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059622
N-[5-(4-formylpiperazin-1-yl)-2-methoxyphenyl]butane-1-sulfonamide
CID 110428724
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
4-methoxy-3-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16771255
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
3-chloro-N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]propane-1-sulfonamide
CID 60959328
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977
3-(hexylcarbamoyl)-4-methoxybenzenesulfonyl chloride
CID 65398804
4-[(2-methoxy-5-methylphenyl)sulfamoyl]butanoic acid
CID 28513919

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
The IUPAC name of 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride (CID 43322394) is 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
The canonical SMILES for 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride is CCCCS(=O)(=O)Nc1cc(S(=O)(=O)Cl)ccc1OC.
What is the InChIKey of 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
The InChIKey is LHDIDASLXOGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO5S2/c1-3-4-7-19(14,15)13-10-8-9(20(12,16)17)5-6-11(10)18-2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride?
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride has a molecular weight of 341.84 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 43322394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).