N-(4-aminophenyl)-N-methylpropane-1-sulfonamide

C10H16N2O2S — CID 28894568

IUPACN-(4-aminophenyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-3-8-15(13,14)12(2)10-6-4-9(11)5-7-10/h4-7H,3,8,11H2,1-2H3
InChIKeyAZTVXZZYXFXORL-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.44
Rot. Bonds4

About N-(4-aminophenyl)-N-methylpropane-1-sulfonamide

N-(4-aminophenyl)-N-methylpropane-1-sulfonamide (PubChem CID 28894568) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is N-(4-aminophenyl)-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-N-methylpropane-1-sulfonamide
PubChem CID28894568
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC NameN-(4-aminophenyl)-N-methylpropane-1-sulfonamide
SMILESCCCS(=O)(=O)N(C)c1ccc(N)cc1
InChIInChI=1S/C10H16N2O2S/c1-3-8-15(13,14)12(2)10-6-4-9(11)5-7-10/h4-7H,3,8,11H2,1-2H3
InChIKeyAZTVXZZYXFXORL-UHFFFAOYSA-N
XLogP1.44
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-ethoxy-N-methylethanesulfonamide
CID 63245632
4-N-(diethylsulfamoyl)-4-N-methylbenzene-1,4-diamine
CID 28894518
N-[4-(dimethylamino)phenyl]-N-methylethanesulfonamide
CID 86816575
N-(4-aminophenyl)-N-ethylethanesulfonamide
CID 63233742
N-[(4-aminophenyl)methyl]-N-ethylpropane-1-sulfonamide
CID 43458794
N-(4-aminophenyl)-N-propylbutane-1-sulfonamide
CID 55173436
N-(4-hydroxyphenyl)-N-methyl-2-methylsulfonylethanesulfonamide
CID 55175048
3-[methyl(propylsulfonyl)amino]benzamide
CID 91156194
4-[butylsulfonyl(methyl)amino]benzoic acid
CID 104698261
4-[butylsulfonyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 76979355
1-amino-4-[cyclopropylsulfamoyl(methyl)amino]benzene
CID 114804293
N-(4-aminophenyl)-N-methylcyclopropanesulfonamide
CID 64552177

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-N-methylpropane-1-sulfonamide?
The IUPAC name of N-(4-aminophenyl)-N-methylpropane-1-sulfonamide (CID 28894568) is N-(4-aminophenyl)-N-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(4-aminophenyl)-N-methylpropane-1-sulfonamide?
The canonical SMILES for N-(4-aminophenyl)-N-methylpropane-1-sulfonamide is CCCS(=O)(=O)N(C)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-N-methylpropane-1-sulfonamide?
The InChIKey is AZTVXZZYXFXORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-3-8-15(13,14)12(2)10-6-4-9(11)5-7-10/h4-7H,3,8,11H2,1-2H3.
What are the key properties of N-(4-aminophenyl)-N-methylpropane-1-sulfonamide?
N-(4-aminophenyl)-N-methylpropane-1-sulfonamide has a molecular weight of 228.32 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 28894568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).