N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide

C18H24N2O4S — CID 112987904

IUPACN-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H24N2O4S/c1-4-5-12-25(21,22)20-15-8-6-14(7-9-15)19-17-13-16(23-2)10-11-18(17)24-3/h6-11,13,19-20H,4-5,12H2,1-3H3
InChIKeyNZRHEGMWOGWHGM-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.99
Rot. Bonds9

About N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide

N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide (PubChem CID 112987904) has the molecular formula C18H24N2O4S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
PubChem CID112987904
Molecular FormulaC18H24N2O4S
Molecular Weight364.47 g/mol
Exact Mass364.15
IUPAC NameN-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide
SMILESCCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)ccc2OC)cc1
InChIInChI=1S/C18H24N2O4S/c1-4-5-12-25(21,22)20-15-8-6-14(7-9-15)19-17-13-16(23-2)10-11-18(17)24-3/h6-11,13,19-20H,4-5,12H2,1-3H3
InChIKeyNZRHEGMWOGWHGM-UHFFFAOYSA-N
XLogP3.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]propane-1-sulfonamide
CID 113020002
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
N-[4-(2-methoxy-5-methylanilino)phenyl]ethanesulfonamide
CID 112987760
N-[4-(4-chloro-2-methoxy-5-methylanilino)phenyl]propane-1-sulfonamide
CID 112989746
methyl 2-[4-(butylsulfonylamino)anilino]benzoate
CID 112988467
2,5-dimethoxy-N-(4-methylphenyl)aniline
CID 171920056
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394
N-(3-methoxyphenyl)nonane-1-sulfonamide
CID 43833954
N-[4-(2-fluoroanilino)phenyl]butane-1-sulfonamide
CID 112986795
N-(4-methoxyphenyl)-3-(methylamino)propane-1-sulfonamide
CID 114138792
4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
CID 119051423

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide?
The IUPAC name of N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide (CID 112987904) is N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide?
The canonical SMILES for N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide is CCCCS(=O)(=O)Nc1ccc(Nc2cc(OC)ccc2OC)cc1.
What is the InChIKey of N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide?
The InChIKey is NZRHEGMWOGWHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S/c1-4-5-12-25(21,22)20-15-8-6-14(7-9-15)19-17-13-16(23-2)10-11-18(17)24-3/h6-11,13,19-20H,4-5,12H2,1-3H3.
What are the key properties of N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide?
N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide has a molecular weight of 364.47 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyanilino)phenyl]butane-1-sulfonamide is sourced from PubChem (CID 112987904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).