2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

C14H17N3O3S — CID 106424008

IUPAC2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccno1)c1ccccc1CNC1CC1
InChIInChI=1S/C14H17N3O3S/c18-21(19,17-10-13-7-8-16-20-13)14-4-2-1-3-11(14)9-15-12-5-6-12/h1-4,7-8,12,15,17H,5-6,9-10H2
InChIKeyBHXKEWXUJYLVJC-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.41
Rot. Bonds7

About 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide

2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106424008) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
PubChem CID106424008
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccno1)c1ccccc1CNC1CC1
InChIInChI=1S/C14H17N3O3S/c18-21(19,17-10-13-7-8-16-20-13)14-4-2-1-3-11(14)9-15-12-5-6-12/h1-4,7-8,12,15,17H,5-6,9-10H2
InChIKeyBHXKEWXUJYLVJC-UHFFFAOYSA-N
XLogP1.41
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(ethylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423811
5-[(cyclopropylamino)methyl]-2-methyl-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106424034
2-[(cyclopropylamino)methyl]-N-(1H-imidazol-2-ylmethyl)benzenesulfonamide
CID 106069321
N-(cyclobutylmethyl)-2-[(cyclopropylamino)methyl]benzenesulfonamide
CID 106024752
2-[(cyclopropylamino)methyl]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063690
2-[(cyclopropylamino)methyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030014
2-[(cyclopropylamino)methyl]-N-pyridazin-3-ylbenzenesulfonamide
CID 106084170
4-N-(1,2-oxazol-5-ylmethyl)cyclohexane-1,4-diamine
CID 106415743
2-hydrazinyl-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106419554
2-[(cyclopropylamino)methyl]-N-[2-[ethyl(methyl)amino]ethyl]benzenesulfonamide
CID 106055884
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)pyridine-3-sulfonamide
CID 106422783
4-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106423891

Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide (CID 106424008) is 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccno1)c1ccccc1CNC1CC1.
What is the InChIKey of 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is BHXKEWXUJYLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-21(19,17-10-13-7-8-16-20-13)14-4-2-1-3-11(14)9-15-12-5-6-12/h1-4,7-8,12,15,17H,5-6,9-10H2.
What are the key properties of 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide?
2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106424008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).