3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide

C16H17N3O3S — CID 95329361

IUPAC3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide
SMILESCC[C@@H](Nc1nc2ccccc2o1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H17N3O3S/c1-2-13(11-6-5-7-12(10-11)23(17,20)21)18-16-19-14-8-3-4-9-15(14)22-16/h3-10,13H,2H2,1H3,(H,18,19)(H2,17,20,21)/t13-/m1/s1
InChIKeyMFZZPQGAHSUZKY-CYBMUJFWSA-N
MW331.40 g/mol
LogP3.04
Rot. Bonds5

About 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide

3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide (PubChem CID 95329361) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide
PubChem CID95329361
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide
SMILESCC[C@@H](Nc1nc2ccccc2o1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H17N3O3S/c1-2-13(11-6-5-7-12(10-11)23(17,20)21)18-16-19-14-8-3-4-9-15(14)22-16/h3-10,13H,2H2,1H3,(H,18,19)(H2,17,20,21)/t13-/m1/s1
InChIKeyMFZZPQGAHSUZKY-CYBMUJFWSA-N
XLogP3.04
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)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

3-[1-[(7-chloroquinazolin-4-yl)amino]propyl]benzenesulfonamide
CID 133300829
N-(1-phenylethyl)-1,3-benzoxazol-2-amine
CID 47146208
5-chloro-N-[1-(3-sulfamoylphenyl)propyl]furan-2-carboxamide
CID 56826904
N-benzhydryl-1,3-benzoxazol-2-amine
CID 24632077
3-[1-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]benzenesulfonamide
CID 84600935
3-[1-(imidazo[1,2-a]pyridin-2-ylmethylamino)propyl]benzenesulfonamide
CID 86787334
2-methyl-N-[1-(3-sulfamoylphenyl)propyl]oxolane-3-sulfonamide
CID 167773157
3-amino-2-(4-chlorophenyl)-N-[1-(3-sulfamoylphenyl)propyl]propanamide
CID 166383331
N-[1-(3-sulfamoylphenyl)propyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 122145623
4-[1-[1,3-benzoxazol-2-yl(methyl)amino]ethyl]benzenesulfonamide
CID 51086703
2-(1,3-benzoxazol-2-ylamino)-2-phenylacetic acid
CID 62111311
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide?
The IUPAC name of 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide (CID 95329361) is 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide.
What is the SMILES notation for 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide?
The canonical SMILES for 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide is CC[C@@H](Nc1nc2ccccc2o1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide?
The InChIKey is MFZZPQGAHSUZKY-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-13(11-6-5-7-12(10-11)23(17,20)21)18-16-19-14-8-3-4-9-15(14)22-16/h3-10,13H,2H2,1H3,(H,18,19)(H2,17,20,21)/t13-/m1/s1.
What are the key properties of 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide?
3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(1,3-benzoxazol-2-ylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 95329361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).