4-[4-(butylamino)phenyl]sulfonylaniline

C16H20N2O2S — CID 73012667

IUPAC4-[4-(butylamino)phenyl]sulfonylaniline
SMILESCCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-3-12-18-14-6-10-16(11-7-14)21(19,20)15-8-4-13(17)5-9-15/h4-11,18H,2-3,12,17H2,1H3
InChIKeyMHQPRDGANDXXQR-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.31
Rot. Bonds6

About 4-[4-(butylamino)phenyl]sulfonylaniline

4-[4-(butylamino)phenyl]sulfonylaniline (PubChem CID 73012667) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-[4-(butylamino)phenyl]sulfonylaniline.

Molecular Properties

Compound Name4-[4-(butylamino)phenyl]sulfonylaniline
PubChem CID73012667
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-[4-(butylamino)phenyl]sulfonylaniline
SMILESCCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-2-3-12-18-14-6-10-16(11-7-14)21(19,20)15-8-4-13(17)5-9-15/h4-11,18H,2-3,12,17H2,1H3
InChIKeyMHQPRDGANDXXQR-UHFFFAOYSA-N
XLogP3.31
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(3-butylsulfonylpropyl)benzene-1,4-diamine
CID 58586711
N-butyl-4-propylsulfonylaniline
CID 43453437
4-[4-(octadecylamino)phenyl]aniline
CID 102249845
4-ethylsulfonyl-N-pentylaniline
CID 43453358
4-N-(7-methylsulfonylheptyl)benzene-1,4-diamine
CID 139472179
4-methylsulfonyl-N-nonylaniline
CID 43129285
4-[4-(methylamino)phenyl]sulfonylaniline
CID 504062
4-N-[3-[4-(ethylamino)anilino]propyl]benzene-1,4-diamine
CID 163689454
4-(butylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383407
4-[4-[2-[4-(4-aminophenyl)sulfonylphenyl]hydrazinyl]phenyl]sulfonylaniline
CID 125345696
N-[4-(butylamino)phenyl]ethanesulfonamide
CID 54866263
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459

Frequently Asked Questions

What is the IUPAC name of 4-[4-(butylamino)phenyl]sulfonylaniline?
The IUPAC name of 4-[4-(butylamino)phenyl]sulfonylaniline (CID 73012667) is 4-[4-(butylamino)phenyl]sulfonylaniline.
What is the SMILES notation for 4-[4-(butylamino)phenyl]sulfonylaniline?
The canonical SMILES for 4-[4-(butylamino)phenyl]sulfonylaniline is CCCCNc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(butylamino)phenyl]sulfonylaniline?
The InChIKey is MHQPRDGANDXXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-2-3-12-18-14-6-10-16(11-7-14)21(19,20)15-8-4-13(17)5-9-15/h4-11,18H,2-3,12,17H2,1H3.
What are the key properties of 4-[4-(butylamino)phenyl]sulfonylaniline?
4-[4-(butylamino)phenyl]sulfonylaniline has a molecular weight of 304.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(butylamino)phenyl]sulfonylaniline is sourced from PubChem (CID 73012667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).