N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide

C14H19N3O3S — CID 106420018

IUPACN-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCc2ccno2)cc1
InChIInChI=1S/C14H19N3O3S/c1-11(2)15-9-12-3-5-14(6-4-12)21(18,19)17-10-13-7-8-16-20-13/h3-8,11,15,17H,9-10H2,1-2H3
InChIKeyIJIFNAAUASZWBM-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.65
Rot. Bonds7

About N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide

N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 106420018) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID106420018
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)NCc2ccno2)cc1
InChIInChI=1S/C14H19N3O3S/c1-11(2)15-9-12-3-5-14(6-4-12)21(18,19)17-10-13-7-8-16-20-13/h3-8,11,15,17H,9-10H2,1-2H3
InChIKeyIJIFNAAUASZWBM-UHFFFAOYSA-N
XLogP1.65
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423847
N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]thiophene-2-sulfonamide
CID 106423820
4-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106422766
2-bromo-N-(1,2-oxazol-5-ylmethyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106423889
N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
3-[1-(methylamino)ethyl]-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106419481
4-[(propan-2-ylamino)methyl]-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 63227851
N-(2-methylsulfonylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60926017
N-methyl-4-(1,2-oxazol-5-ylmethylamino)benzenesulfonamide
CID 114186437
N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 62902953
3-(aminomethyl)-4-methyl-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106423936
N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 104600384

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 106420018) is N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccc(S(=O)(=O)NCc2ccno2)cc1.
What is the InChIKey of N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is IJIFNAAUASZWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-11(2)15-9-12-3-5-14(6-4-12)21(18,19)17-10-13-7-8-16-20-13/h3-8,11,15,17H,9-10H2,1-2H3.
What are the key properties of N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 106420018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).