4-[2-(propylamino)propyl]benzenesulfonamide

C12H20N2O2S — CID 55219921

IUPAC4-[2-(propylamino)propyl]benzenesulfonamide
SMILESCCCNC(C)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-8-14-10(2)9-11-4-6-12(7-5-11)17(13,15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H2,13,15,16)
InChIKeyCZFODMXCJAWBAL-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.26
Rot. Bonds6

About 4-[2-(propylamino)propyl]benzenesulfonamide

4-[2-(propylamino)propyl]benzenesulfonamide (PubChem CID 55219921) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-[2-(propylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(propylamino)propyl]benzenesulfonamide
PubChem CID55219921
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name4-[2-(propylamino)propyl]benzenesulfonamide
SMILESCCCNC(C)Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C12H20N2O2S/c1-3-8-14-10(2)9-11-4-6-12(7-5-11)17(13,15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H2,13,15,16)
InChIKeyCZFODMXCJAWBAL-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(propylamino)propyl]benzenesulfonamide 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-propyl-1-(4-propylphenyl)propan-2-amine
CID 82262360
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
1-(4-butan-2-ylphenyl)-N-propylpropan-2-amine
CID 82262358
4-(2-hydroxypentyl)benzenesulfonamide
CID 63201232
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
CID 115495172
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-[2-ethylsulfonyl-1-[4-(2-methylpropyl)phenyl]ethyl]propan-1-amine
CID 64645191
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
4-[(1,1-difluoropropan-2-ylamino)methyl]benzenesulfonamide
CID 102867736
1-(4-methylsulfonylphenyl)sulfonyl-N-propylpropan-2-amine
CID 64675887
N-propyl-2-[1-(4-sulfamoylphenyl)ethylamino]acetamide
CID 43226335

Frequently Asked Questions

What is the IUPAC name of 4-[2-(propylamino)propyl]benzenesulfonamide?
The IUPAC name of 4-[2-(propylamino)propyl]benzenesulfonamide (CID 55219921) is 4-[2-(propylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(propylamino)propyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(propylamino)propyl]benzenesulfonamide is CCCNC(C)Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(propylamino)propyl]benzenesulfonamide?
The InChIKey is CZFODMXCJAWBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-3-8-14-10(2)9-11-4-6-12(7-5-11)17(13,15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H2,13,15,16).
What are the key properties of 4-[2-(propylamino)propyl]benzenesulfonamide?
4-[2-(propylamino)propyl]benzenesulfonamide has a molecular weight of 256.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(propylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 55219921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).