N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide

C16H20N2O2S — CID 112986049

IUPACN-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-12-21(19,20)18-16-10-8-15(9-11-16)17-14-6-4-13(2)5-7-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyCXAHJXZVRBSPTG-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.89
Rot. Bonds6

About N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide

N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide (PubChem CID 112986049) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
PubChem CID112986049
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[4-(4-methylanilino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-3-12-21(19,20)18-16-10-8-15(9-11-16)17-14-6-4-13(2)5-7-14/h4-11,17-18H,3,12H2,1-2H3
InChIKeyCXAHJXZVRBSPTG-UHFFFAOYSA-N
XLogP3.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(4-methylanilino)phenyl]propane-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-[4-(2,4,6-trimethylanilino)phenyl]propane-1-sulfonamide
CID 112986671
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[5-(4-methylanilino)-2-pyridinyl]propane-1-sulfonamide
CID 113031592
N-[4-(4-methoxyanilino)phenyl]propane-1-sulfonamide
CID 112987552
3-hydroxy-N-(4-methylphenyl)propane-1-sulfonamide
CID 94685063
N-[4-(2-chloro-4,6-dimethylanilino)phenyl]propane-1-sulfonamide
CID 112987192
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-(4-methylphenyl)-3-octoxypropane-1-sulfonamide
CID 22889852
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-[4-(5-chloro-2-methylanilino)phenyl]propane-1-sulfonamide
CID 112987095
N-[4-(4-phenylmethoxyanilino)phenyl]propane-1-sulfonamide
CID 112988919
[4-(butylsulfonylamino)phenyl] 4-methylbenzenesulfonate
CID 59375206

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide (CID 112986049) is N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(Nc2ccc(C)cc2)cc1.
What is the InChIKey of N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide?
The InChIKey is CXAHJXZVRBSPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-3-12-21(19,20)18-16-10-8-15(9-11-16)17-14-6-4-13(2)5-7-14/h4-11,17-18H,3,12H2,1-2H3.
What are the key properties of N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide?
N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylanilino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112986049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).