4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

C10H9BrN2O3S — CID 670321

IUPAC4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C10H9BrN2O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyCIAPGWWOGQDTBG-UHFFFAOYSA-N
MW317.16 g/mol
LogP2.55
Rot. Bonds3

About 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (PubChem CID 670321) has the molecular formula C10H9BrN2O3S and a molecular weight of 317.16 g/mol. Its IUPAC name is 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
PubChem CID670321
Molecular FormulaC10H9BrN2O3S
Molecular Weight317.16 g/mol
Exact Mass315.95
IUPAC Name4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Br)cc2)no1
InChIInChI=1S/C10H9BrN2O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13)
InChIKeyCIAPGWWOGQDTBG-UHFFFAOYSA-N
XLogP2.55
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 57350054
CID 57350054
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977
4-(ethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 62148521
4-(2-bromoethylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153356564
5-bromo-2-ethoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzenesulfonamide
CID 2473949
4-butyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 562945
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
5-bromo-2-methoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17094246
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-nitrophenoxy)benzenesulfonamide
CID 2907889

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide (CID 670321) is 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)no1.
What is the InChIKey of 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
The InChIKey is CIAPGWWOGQDTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,1H3,(H,12,13).
What are the key properties of 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide?
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide has a molecular weight of 317.16 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 670321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).