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

C10H8Br2N2O3S — CID 80708187

IUPAC2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cnoc2)cc1Br
InChIInChI=1S/C10H8Br2N2O3S/c1-6-2-9(12)10(3-8(6)11)18(15,16)14-7-4-13-17-5-7/h2-5,14H,1H3
InChIKeyZTLHXQBDXALECW-UHFFFAOYSA-N
MW396.06 g/mol
LogP3.31
Rot. Bonds3

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

2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 80708187) has the molecular formula C10H8Br2N2O3S and a molecular weight of 396.06 g/mol. Its IUPAC name is 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID80708187
Molecular FormulaC10H8Br2N2O3S
Molecular Weight396.06 g/mol
Exact Mass393.86
IUPAC Name2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1cc(Br)c(S(=O)(=O)Nc2cnoc2)cc1Br
InChIInChI=1S/C10H8Br2N2O3S/c1-6-2-9(12)10(3-8(6)11)18(15,16)14-7-4-13-17-5-7/h2-5,14H,1H3
InChIKeyZTLHXQBDXALECW-UHFFFAOYSA-N
XLogP3.31
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dibromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 55125549
2,5-dibromo-4-methyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 81326724
2,5-dibromo-N-(4-iodophenyl)-4-methylbenzenesulfonamide
CID 81327829
2,5-dibromo-N-(3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 81427019
N-(4-aminophenyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81327224
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
2-amino-4-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903642
5-bromo-N-(3,5-dimethylphenyl)-2,4-dimethylbenzenesulfonamide
CID 139014532
2,5-dibromo-N-(3-bromo-4-fluorophenyl)-4-methylbenzenesulfonamide
CID 104779619
N-(5-amino-3-bromo-2-pyridinyl)-2,5-dibromo-4-methylbenzenesulfonamide
CID 81320241
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274
3-bromo-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62399730

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide (CID 80708187) is 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide is Cc1cc(Br)c(S(=O)(=O)Nc2cnoc2)cc1Br.
What is the InChIKey of 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is ZTLHXQBDXALECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2N2O3S/c1-6-2-9(12)10(3-8(6)11)18(15,16)14-7-4-13-17-5-7/h2-5,14H,1H3.
What are the key properties of 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide?
2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 396.06 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-4-methyl-N-(1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 80708187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).