4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide

C12H20N2O5S2 — CID 119051423

IUPAC4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
SMILESCCCCCS(=O)(=O)Nc1cc(OC)ccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O5S2/c1-3-4-5-8-20(15,16)14-11-9-10(19-2)6-7-12(11)21(13,17)18/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17,18)
InChIKeyZYCCBECQAJOPQD-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.27
Rot. Bonds8

About 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide

4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide (PubChem CID 119051423) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
PubChem CID119051423
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
SMILESCCCCCS(=O)(=O)Nc1cc(OC)ccc1S(N)(=O)=O
InChIInChI=1S/C12H20N2O5S2/c1-3-4-5-8-20(15,16)14-11-9-10(19-2)6-7-12(11)21(13,17)18/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17,18)
InChIKeyZYCCBECQAJOPQD-UHFFFAOYSA-N
XLogP1.27
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
CID 43246882
methyl 4-[(2-hydroxy-4-methoxyphenyl)sulfamoyl]butanoate
CID 102695904
N-(2-fluoro-5-methoxyphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106071793
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
CID 112987904
N-(2,4,6-trimethoxyphenyl)hexadecane-1-sulfonamide
CID 10367516
hexyl 4-methoxy-2-[(4-methoxyphenyl)sulfonylamino]benzenesulfonate
CID 175554667
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-(2-bromo-4-methoxyphenyl)ethanesulfonamide
CID 171393230
N-(2-fluoro-5-methoxyphenyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106071794

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide (CID 119051423) is 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide is CCCCCS(=O)(=O)Nc1cc(OC)ccc1S(N)(=O)=O.
What is the InChIKey of 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide?
The InChIKey is ZYCCBECQAJOPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-3-4-5-8-20(15,16)14-11-9-10(19-2)6-7-12(11)21(13,17)18/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,17,18).
What are the key properties of 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide?
4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 1.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide is sourced from PubChem (CID 119051423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).