4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide

C9H5BrCl2N2O3S — CID 60660830

IUPAC4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccon1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H5BrCl2N2O3S/c10-5-3-6(11)9(7(12)4-5)18(15,16)14-8-1-2-17-13-8/h1-4H,(H,13,14)
InChIKeyYRDQTCOQKJQHQN-UHFFFAOYSA-N
MW372.03 g/mol
LogP3.54
Rot. Bonds3

About 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide

4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 60660830) has the molecular formula C9H5BrCl2N2O3S and a molecular weight of 372.03 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID60660830
Molecular FormulaC9H5BrCl2N2O3S
Molecular Weight372.03 g/mol
Exact Mass369.86
IUPAC Name4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccon1)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C9H5BrCl2N2O3S/c10-5-3-6(11)9(7(12)4-5)18(15,16)14-8-1-2-17-13-8/h1-4H,(H,13,14)
InChIKeyYRDQTCOQKJQHQN-UHFFFAOYSA-N
XLogP3.54
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.03
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-pyridinyl)-4-bromo-2,6-dichlorobenzenesulfonamide
CID 43327264
4-amino-2-chloro-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 55131833
3-amino-5-chloro-4-methyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 62904150
4-bromo-N-(4-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 60640138
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
4-bromo-N-(5-bromo-2-chlorophenyl)-2,6-dichlorobenzenesulfonamide
CID 63421665
4-bromo-2,6-dichloro-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 61394406
3-amino-4-bromo-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 113288340
4-bromo-2,6-dichloro-N-(3,5-dichlorophenyl)benzenesulfonamide
CID 60640543
3-amino-2,5,6-trimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 106504809
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
4-bromo-2,6-dichloro-N-(2,6-difluorophenyl)benzenesulfonamide
CID 60640782

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide (CID 60660830) is 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide is O=S(=O)(Nc1ccon1)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is YRDQTCOQKJQHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrCl2N2O3S/c10-5-3-6(11)9(7(12)4-5)18(15,16)14-8-1-2-17-13-8/h1-4H,(H,13,14).
What are the key properties of 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 372.03 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 60660830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).