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

C13H17N3O3S — CID 62902953

IUPACN-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2cnoc2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10(2)14-7-11-3-5-13(6-4-11)20(17,18)16-12-8-15-19-9-12/h3-6,8-10,14,16H,7H2,1-2H3
InChIKeySUZXRADXUQAOFN-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.97
Rot. Bonds6

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

N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 62902953) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID62902953
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCC(C)NCc1ccc(S(=O)(=O)Nc2cnoc2)cc1
InChIInChI=1S/C13H17N3O3S/c1-10(2)14-7-11-3-5-13(6-4-11)20(17,18)16-12-8-15-19-9-12/h3-6,8-10,14,16H,7H2,1-2H3
InChIKeySUZXRADXUQAOFN-UHFFFAOYSA-N
XLogP1.97
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60824032
N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 54340665
N-(1,2-oxazol-4-yl)-3-(propan-2-ylamino)propane-1-sulfonamide
CID 62913608
N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
N-[4-[(propan-2-ylamino)methyl]phenyl]-1H-imidazole-5-sulfonamide
CID 106911204
4-(3-aminoprop-1-ynyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62913617
N-(1,2-oxazol-5-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 106420018
3-(1-hydroxyethyl)-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62915619
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723
N-(2-methylsulfonylethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60926017
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730
3-amino-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903638

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 62902953) is N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is CC(C)NCc1ccc(S(=O)(=O)Nc2cnoc2)cc1.
What is the InChIKey of N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is SUZXRADXUQAOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-10(2)14-7-11-3-5-13(6-4-11)20(17,18)16-12-8-15-19-9-12/h3-6,8-10,14,16H,7H2,1-2H3.
What are the key properties of N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-4-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 62902953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).