N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide

C14H25N3O2S — CID 62663937

IUPACN-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
SMILESCC(C)NCCNc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H25N3O2S/c1-11(2)15-9-10-16-13-7-5-6-8-14(13)20(18,19)17-12(3)4/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyYKVAFGHQTQIDID-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.78
Rot. Bonds8

About N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide

N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide (PubChem CID 62663937) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
PubChem CID62663937
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide
SMILESCC(C)NCCNc1ccccc1S(=O)(=O)NC(C)C
InChIInChI=1S/C14H25N3O2S/c1-11(2)15-9-10-16-13-7-5-6-8-14(13)20(18,19)17-12(3)4/h5-8,11-12,15-17H,9-10H2,1-4H3
InChIKeyYKVAFGHQTQIDID-UHFFFAOYSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]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

2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
2-(5-hydroxypentylamino)-N-propan-2-ylbenzenesulfonamide
CID 107318077
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-(pentan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454588
2-[(3-chloro-2-hydroxypropyl)amino]-N-propan-2-ylbenzenesulfonamide
CID 168641055
2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 81177250
2-[(1-hydroxy-2-methylpropan-2-yl)amino]-N-propan-2-ylbenzenesulfonamide
CID 43500172
2-hydroxy-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106170761
2-[(1-aminocyclobutyl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 103354049
2,2-dimethyl-3-[2-(propan-2-ylsulfamoyl)anilino]propanamide
CID 106277873
2-(oxolan-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61039943
2-(hexan-3-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 62119141

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
The IUPAC name of N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide (CID 62663937) is N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide.
What is the SMILES notation for N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
The canonical SMILES for N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide is CC(C)NCCNc1ccccc1S(=O)(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
The InChIKey is YKVAFGHQTQIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11(2)15-9-10-16-13-7-5-6-8-14(13)20(18,19)17-12(3)4/h5-8,11-12,15-17H,9-10H2,1-4H3.
What are the key properties of N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide?
N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 1.78, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[2-(propan-2-ylamino)ethylamino]benzenesulfonamide is sourced from PubChem (CID 62663937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).