4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide

C10H13N5O3S — CID 106966865

IUPAC4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
SMILESCC(N)c1nnc(Nc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C10H13N5O3S/c1-6(11)9-14-15-10(18-9)13-7-2-4-8(5-3-7)19(12,16)17/h2-6H,11H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyLVNNSAOUFGWTME-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.48
Rot. Bonds4

About 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide

4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide (PubChem CID 106966865) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
PubChem CID106966865
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide
SMILESCC(N)c1nnc(Nc2ccc(S(N)(=O)=O)cc2)o1
InChIInChI=1S/C10H13N5O3S/c1-6(11)9-14-15-10(18-9)13-7-2-4-8(5-3-7)19(12,16)17/h2-6H,11H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyLVNNSAOUFGWTME-UHFFFAOYSA-N
XLogP0.48
TPSA137.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-(1-chloroethyl)-N-(4-phenylphenyl)-1,3,4-oxadiazol-2-amine
CID 106957474
5-[1-(methylamino)ethyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966724
4-[(3,4-dimethyl-1,2-oxazol-5-yl)amino]benzenesulfonamide
CID 15764446
4-[(4-methylphthalazin-1-yl)amino]benzenesulfonamide
CID 2881633
4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]amino]benzenesulfonamide
CID 11688636
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[(3-amino-6-methyl-2-pyridinyl)amino]benzenesulfonamide
CID 82059643
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
4-[(2-propan-2-ylquinazolin-4-yl)amino]benzenesulfonamide
CID 110434808
4-(pentan-2-ylamino)benzenesulfonamide
CID 43193552
4-(1,4-dioxin-2-ylamino)benzenesulfonamide
CID 174855883

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide (CID 106966865) is 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide is CC(N)c1nnc(Nc2ccc(S(N)(=O)=O)cc2)o1.
What is the InChIKey of 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide?
The InChIKey is LVNNSAOUFGWTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3S/c1-6(11)9-14-15-10(18-9)13-7-2-4-8(5-3-7)19(12,16)17/h2-6H,11H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide?
4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide has a molecular weight of 283.31 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(1-aminoethyl)-1,3,4-oxadiazol-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 106966865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).