4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

C10H11BrN4O3S — CID 106411026

IUPAC4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ncon2)c(Br)c1
InChIInChI=1S/C10H11BrN4O3S/c11-8-3-7(4-12)1-2-9(8)19(16,17)14-5-10-13-6-18-15-10/h1-3,6,14H,4-5,12H2
InChIKeyDTGLTFVXFQLRMR-UHFFFAOYSA-N
MW347.19 g/mol
LogP0.77
Rot. Bonds5

About 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide

4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (PubChem CID 106411026) has the molecular formula C10H11BrN4O3S and a molecular weight of 347.19 g/mol. Its IUPAC name is 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
PubChem CID106411026
Molecular FormulaC10H11BrN4O3S
Molecular Weight347.19 g/mol
Exact Mass345.97
IUPAC Name4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCc2ncon2)c(Br)c1
InChIInChI=1S/C10H11BrN4O3S/c11-8-3-7(4-12)1-2-9(8)19(16,17)14-5-10-13-6-18-15-10/h1-3,6,14H,4-5,12H2
InChIKeyDTGLTFVXFQLRMR-UHFFFAOYSA-N
XLogP0.77
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-2-bromo-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106093481
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
5-amino-2-bromo-4-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392188
5-(aminomethyl)-2,4-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106411081
2-(aminomethyl)-5-fluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410838
4-(aminomethyl)-2-bromo-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 106030727
3-amino-2,4-dichloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392127
2-amino-5-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392142
5-amino-2,3-difluoro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106392115
3-amino-4-(1,2,4-oxadiazol-3-ylmethylsulfamoyl)benzoic acid
CID 106392086
4-cyano-2-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106399140
3-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-2-sulfonamide
CID 106406982

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide (CID 106411026) is 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCc2ncon2)c(Br)c1.
What is the InChIKey of 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is DTGLTFVXFQLRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O3S/c11-8-3-7(4-12)1-2-9(8)19(16,17)14-5-10-13-6-18-15-10/h1-3,6,14H,4-5,12H2.
What are the key properties of 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide?
4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 347.19 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106411026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).