2-methoxy-5-(pentylamino)benzenesulfonamide

C12H20N2O3S — CID 143880253

IUPAC2-methoxy-5-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-5-8-14-10-6-7-11(17-2)12(9-10)18(13,15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,15,16)
InChIKeyGKQHFNWQPXRSFY-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.94
Rot. Bonds7

About 2-methoxy-5-(pentylamino)benzenesulfonamide

2-methoxy-5-(pentylamino)benzenesulfonamide (PubChem CID 143880253) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 2-methoxy-5-(pentylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-(pentylamino)benzenesulfonamide
PubChem CID143880253
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name2-methoxy-5-(pentylamino)benzenesulfonamide
SMILESCCCCCNc1ccc(OC)c(S(N)(=O)=O)c1
InChIInChI=1S/C12H20N2O3S/c1-3-4-5-8-14-10-6-7-11(17-2)12(9-10)18(13,15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,15,16)
InChIKeyGKQHFNWQPXRSFY-UHFFFAOYSA-N
XLogP1.94
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(pentylamino)benzenesulfonamide
CID 28653503
N-decyl-3-fluoro-4-methoxyaniline
CID 63489598
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
3-chloro-N-heptyl-4-methoxyaniline
CID 43129175
N-heptyl-2,5-dimethoxybenzenesulfonamide
CID 19681274
2,5-dimethoxy-N-octylbenzenesulfonamide
CID 19681340
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
5-(ethylamino)-2-methoxybenzenesulfonamide;pyrrolidine-1-carbonitrile
CID 143880275
butyl 4-methoxy-3-sulfamoylbenzoate
CID 60724472
4-methoxy-N-(4-methoxy-3-sulfamoylphenyl)butanamide
CID 47245842
1-(pentylamino)-3-(sulfamoylamino)benzene
CID 43741926

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(pentylamino)benzenesulfonamide?
The IUPAC name of 2-methoxy-5-(pentylamino)benzenesulfonamide (CID 143880253) is 2-methoxy-5-(pentylamino)benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-(pentylamino)benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-(pentylamino)benzenesulfonamide is CCCCCNc1ccc(OC)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-methoxy-5-(pentylamino)benzenesulfonamide?
The InChIKey is GKQHFNWQPXRSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-4-5-8-14-10-6-7-11(17-2)12(9-10)18(13,15)16/h6-7,9,14H,3-5,8H2,1-2H3,(H2,13,15,16).
What are the key properties of 2-methoxy-5-(pentylamino)benzenesulfonamide?
2-methoxy-5-(pentylamino)benzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(pentylamino)benzenesulfonamide is sourced from PubChem (CID 143880253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).