4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide

C9H10BrN5O2S — CID 110870998

IUPAC4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESCn1nnnc1CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN5O2S/c1-15-9(12-13-14-15)6-11-18(16,17)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyPWNWTDDCYLOPHO-UHFFFAOYSA-N
MW332.18 g/mol
LogP0.45
Rot. Bonds4

About 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide

4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide (PubChem CID 110870998) has the molecular formula C9H10BrN5O2S and a molecular weight of 332.18 g/mol. Its IUPAC name is 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
PubChem CID110870998
Molecular FormulaC9H10BrN5O2S
Molecular Weight332.18 g/mol
Exact Mass330.97
IUPAC Name4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
SMILESCn1nnnc1CNS(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C9H10BrN5O2S/c1-15-9(12-13-14-15)6-11-18(16,17)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3
InChIKeyPWNWTDDCYLOPHO-UHFFFAOYSA-N
XLogP0.45
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.18
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide
CID 110870999
N-[(1-methyltetrazol-5-yl)methyl]ethanesulfonamide
CID 110870993
4-methyl-N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579947
4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 60652284
4-bromo-N-[(6-methylpyridazin-3-yl)methyl]benzenesulfonamide
CID 110737976
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
4-bromo-N-[(4-methylsulfonylphenyl)methyl]benzenesulfonamide
CID 3774479
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579946
4-bromo-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 3716725
4-chloro-N-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 16809041
N-[4-[(1-phenyltetrazol-5-yl)methylsulfamoyl]phenyl]acetamide
CID 18565844

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide (CID 110870998) is 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide is Cn1nnnc1CNS(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is PWNWTDDCYLOPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2S/c1-15-9(12-13-14-15)6-11-18(16,17)8-4-2-7(10)3-5-8/h2-5,11H,6H2,1H3.
What are the key properties of 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide?
4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-methyltetrazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110870998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).