1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide

C9H10BrN5O2S — CID 83092605

IUPAC1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
SMILESCn1nnnc1-c1cccc(NS(=O)(=O)CBr)c1
InChIInChI=1S/C9H10BrN5O2S/c1-15-9(11-13-14-15)7-3-2-4-8(5-7)12-18(16,17)6-10/h2-5,12H,6H2,1H3
InChIKeyPYCAYGDRRPMELA-UHFFFAOYSA-N
MW332.18 g/mol
LogP0.97
Rot. Bonds4

About 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide

1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide (PubChem CID 83092605) has the molecular formula C9H10BrN5O2S and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
PubChem CID83092605
Molecular FormulaC9H10BrN5O2S
Molecular Weight332.18 g/mol
Exact Mass330.97
IUPAC Name1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide
SMILESCn1nnnc1-c1cccc(NS(=O)(=O)CBr)c1
InChIInChI=1S/C9H10BrN5O2S/c1-15-9(11-13-14-15)7-3-2-4-8(5-7)12-18(16,17)6-10/h2-5,12H,6H2,1H3
InChIKeyPYCAYGDRRPMELA-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092790
4-ethyl-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419462
2,3,4-trifluoro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 25419429
1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide
CID 83093455
4-(2-methoxyethoxy)-N-[3-(1-methyltetrazol-5-yl)phenyl]benzenesulfonamide
CID 30868046
N-methyl-4-[[3-(1-methyltetrazol-5-yl)phenyl]sulfamoyl]benzamide
CID 25325851
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-(cyclopropylmethyl)-3-(1-methyltetrazol-5-yl)aniline
CID 43687184
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
N'-tert-butyl-N-[3-(1-methyltetrazol-5-yl)phenyl]ethane-1,2-diamine
CID 107444969
5-(3-bromophenyl)-1-methyltetrazole
CID 66904947
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide (CID 83092605) is 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide is Cn1nnnc1-c1cccc(NS(=O)(=O)CBr)c1.
What is the InChIKey of 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide?
The InChIKey is PYCAYGDRRPMELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2S/c1-15-9(11-13-14-15)7-3-2-4-8(5-7)12-18(16,17)6-10/h2-5,12H,6H2,1H3.
What are the key properties of 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide?
1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 83092605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).