N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine

C14H18ClN3O3S — CID 110634027

IUPACN-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine
SMILESCC(C)NS(=O)(=O)NCCc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C14H18ClN3O3S/c1-10(2)18-22(19,20)16-8-7-13-9-14(21-17-13)11-3-5-12(15)6-4-11/h3-6,9-10,16,18H,7-8H2,1-2H3
InChIKeyZYSPHQCCKHXDMV-UHFFFAOYSA-N
MW343.84 g/mol
LogP2.37
Rot. Bonds7

About N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine

N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine (PubChem CID 110634027) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine
PubChem CID110634027
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine
SMILESCC(C)NS(=O)(=O)NCCc1cc(-c2ccc(Cl)cc2)on1
InChIInChI=1S/C14H18ClN3O3S/c1-10(2)18-22(19,20)16-8-7-13-9-14(21-17-13)11-3-5-12(15)6-4-11/h3-6,9-10,16,18H,7-8H2,1-2H3
InChIKeyZYSPHQCCKHXDMV-UHFFFAOYSA-N
XLogP2.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]pyridine-3-sulfonamide
CID 110312503
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(3-methylbutyl)acetamide
CID 16878594
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314691
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]oxolane-2-carboxamide
CID 110314737
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-4-methoxybenzamide
CID 110314743
5-chloro-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]thiophene-2-sulfonamide
CID 110314704
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethyl]-3-(furan-2-yl)propanamide
CID 110312504
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 16878595
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-methoxyacetamide
CID 110619836
2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]acetonitrile
CID 45496834
3-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-[4-(dimethoxyphosphorylmethyl)phenyl]propanamide
CID 139968628

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine (CID 110634027) is N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine is CC(C)NS(=O)(=O)NCCc1cc(-c2ccc(Cl)cc2)on1.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine?
The InChIKey is ZYSPHQCCKHXDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-10(2)18-22(19,20)16-8-7-13-9-14(21-17-13)11-3-5-12(15)6-4-11/h3-6,9-10,16,18H,7-8H2,1-2H3.
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine?
N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine has a molecular weight of 343.84 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]ethylsulfamoyl]propan-2-amine is sourced from PubChem (CID 110634027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).