3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

C10H9BrClN3O3S — CID 106407015

IUPAC3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClN3O3S/c11-8-5-7(1-2-9(8)12)19(16,17)14-4-3-10-13-6-18-15-10/h1-2,5-6,14H,3-4H2
InChIKeyPRHFABXMYUDDCR-UHFFFAOYSA-N
MW366.62 g/mol
LogP2.01
Rot. Bonds5

About 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide

3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (PubChem CID 106407015) has the molecular formula C10H9BrClN3O3S and a molecular weight of 366.62 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
PubChem CID106407015
Molecular FormulaC10H9BrClN3O3S
Molecular Weight366.62 g/mol
Exact Mass364.92
IUPAC Name3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ncon1)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C10H9BrClN3O3S/c11-8-5-7(1-2-9(8)12)19(16,17)14-4-3-10-13-6-18-15-10/h1-2,5-6,14H,3-4H2
InChIKeyPRHFABXMYUDDCR-UHFFFAOYSA-N
XLogP2.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.62
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 114183471
3-amino-4-ethyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106392459
3-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide
CID 106411260
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-(propylamino)pyridine-4-sulfonamide
CID 106407971
4-amino-3-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106402302
2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
CID 106410644
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-propanoylbenzenesulfonamide
CID 106401477
3-bromo-4-chloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 106612272
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
3-bromo-N-(5-bromopentyl)-4-chlorobenzenesulfonamide
CID 107323027
3-[(3-bromo-4-chlorophenyl)sulfonylamino]propanoic acid
CID 106605107
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-5-sulfonamide
CID 106408036

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide (CID 106407015) is 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ncon1)c1ccc(Cl)c(Br)c1.
What is the InChIKey of 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
The InChIKey is PRHFABXMYUDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O3S/c11-8-5-7(1-2-9(8)12)19(16,17)14-4-3-10-13-6-18-15-10/h1-2,5-6,14H,3-4H2.
What are the key properties of 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide?
3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide has a molecular weight of 366.62 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106407015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).