6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C14H12BrN5O2S — CID 118266420

IUPAC6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(Br)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12BrN5O2S/c1-8-2-4-9(5-3-8)10-6-7-11(15)13(23(16,21)22)12(10)14-17-19-20-18-14/h2-7H,1H3,(H2,16,21,22)(H,17,18,19,20)
InChIKeyFXMGXKLSCOYXLL-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.25
Rot. Bonds3

About 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266420) has the molecular formula C14H12BrN5O2S and a molecular weight of 394.25 g/mol. Its IUPAC name is 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266420
Molecular FormulaC14H12BrN5O2S
Molecular Weight394.25 g/mol
Exact Mass392.99
IUPAC Name6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESCc1ccc(-c2ccc(Br)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1
InChIInChI=1S/C14H12BrN5O2S/c1-8-2-4-9(5-3-8)10-6-7-11(15)13(23(16,21)22)12(10)14-17-19-20-18-14/h2-7H,1H3,(H2,16,21,22)(H,17,18,19,20)
InChIKeyFXMGXKLSCOYXLL-UHFFFAOYSA-N
XLogP2.25
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(aminomethyl)phenyl]-6-bromo-2-(2H-tetrazol-5-yl)benzenesulfonamide;ethane
CID 144893208
3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonic acid
CID 171351889
2-(2H-tetrazol-5-yl)-3-[4-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 122687798
3-(4-methylphenyl)-5-(6-oxo-1H-pyridin-3-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266278
4-[2-sulfamoyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]benzamide
CID 118256777
5-(2-bromo-5-methylphenyl)-2H-tetrazole
CID 166595540
3-[4-(2-amino-3-methylimidazol-4-yl)phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 122687759
3-pyridin-4-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 171344422
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
3-(4-piperazin-1-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266386
3-(2-amino-2,3-dihydro-1H-inden-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130230712
3-[4-(azetidin-3-yl)phenyl]-6-(cyclohexylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 144893629

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266420) is 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Cc1ccc(-c2ccc(Br)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is FXMGXKLSCOYXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN5O2S/c1-8-2-4-9(5-3-8)10-6-7-11(15)13(23(16,21)22)12(10)14-17-19-20-18-14/h2-7H,1H3,(H2,16,21,22)(H,17,18,19,20).
What are the key properties of 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 394.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).