N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide

C18H24N2O3S — CID 112980291

IUPACN-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-5-12-19-15-6-8-16(9-7-15)20-24(21,22)18-11-10-17(23-3)13-14(18)2/h6-11,13,19-20H,4-5,12H2,1-3H3
InChIKeyVIXYGTPCTVTVLT-UHFFFAOYSA-N
MW348.47 g/mol
LogP4.02
Rot. Bonds8

About N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide

N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide (PubChem CID 112980291) has the molecular formula C18H24N2O3S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
PubChem CID112980291
Molecular FormulaC18H24N2O3S
Molecular Weight348.47 g/mol
Exact Mass348.15
IUPAC NameN-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cc1
InChIInChI=1S/C18H24N2O3S/c1-4-5-12-19-15-6-8-16(9-7-15)20-24(21,22)18-11-10-17(23-3)13-14(18)2/h6-11,13,19-20H,4-5,12H2,1-3H3
InChIKeyVIXYGTPCTVTVLT-UHFFFAOYSA-N
XLogP4.02
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-N-[4-(propylamino)phenyl]benzenesulfonamide
CID 112979777
N-(3-amino-4-methylphenyl)-4-methoxy-2-methylbenzenesulfonamide
CID 39439925
[4-[(4-methoxy-2-methylphenyl)sulfonylamino]phenyl]urea
CID 47062796
4-methoxy-N-(4-methoxy-3-methylphenyl)-2-methylbenzenesulfonamide
CID 110776438
4-bromo-N-(4-butoxyphenyl)-2-methylbenzenesulfonamide
CID 2840140
N-(3,4-dimethylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 19683549
2,4-dimethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 22774026
4-methoxy-2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 51121436
4-methoxy-2-methyl-N-[4-(pyridin-3-ylmethylamino)phenyl]benzenesulfonamide
CID 112983082
3,4-dimethyl-N-[4-(pentylamino)phenyl]benzenesulfonamide
CID 112985250
4-methoxy-2-methyl-N-quinoxalin-6-ylbenzenesulfonamide
CID 110723752
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
The IUPAC name of N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide (CID 112980291) is N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(OC)cc2C)cc1.
What is the InChIKey of N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
The InChIKey is VIXYGTPCTVTVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S/c1-4-5-12-19-15-6-8-16(9-7-15)20-24(21,22)18-11-10-17(23-3)13-14(18)2/h6-11,13,19-20H,4-5,12H2,1-3H3.
What are the key properties of N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide?
N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide has a molecular weight of 348.47 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)phenyl]-4-methoxy-2-methylbenzenesulfonamide is sourced from PubChem (CID 112980291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).