3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide

C18H18BrN3O3S — CID 139014988

IUPAC3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)N(C)C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H18BrN3O3S/c1-12-17(18(20)21-25-12)26(23,24)22(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)19/h3-11,16H,1-2H3,(H2,20,21)
InChIKeyARBBSNIUOLITRP-UHFFFAOYSA-N
MW436.33 g/mol
LogP3.74
Rot. Bonds5

About 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide

3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 139014988) has the molecular formula C18H18BrN3O3S and a molecular weight of 436.33 g/mol. Its IUPAC name is 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID139014988
Molecular FormulaC18H18BrN3O3S
Molecular Weight436.33 g/mol
Exact Mass435.03
IUPAC Name3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1onc(N)c1S(=O)(=O)N(C)C(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C18H18BrN3O3S/c1-12-17(18(20)21-25-12)26(23,24)22(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)19/h3-11,16H,1-2H3,(H2,20,21)
InChIKeyARBBSNIUOLITRP-UHFFFAOYSA-N
XLogP3.74
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 139014988) is 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1onc(N)c1S(=O)(=O)N(C)C(c1ccccc1)c1ccccc1Br.
What is the InChIKey of 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is ARBBSNIUOLITRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S/c1-12-17(18(20)21-25-12)26(23,24)22(2)16(13-8-4-3-5-9-13)14-10-6-7-11-15(14)19/h3-11,16H,1-2H3,(H2,20,21).
What are the key properties of 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide?
3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 436.33 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-bromophenyl)-phenylmethyl]-N,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 139014988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).