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

C9H10BrN5O2S — CID 83093455

IUPAC1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide
SMILESCc1nnnn1-c1cccc(NS(=O)(=O)CBr)c1
InChIInChI=1S/C9H10BrN5O2S/c1-7-11-13-14-15(7)9-4-2-3-8(5-9)12-18(16,17)6-10/h2-5,12H,6H2,1H3
InChIKeyAQNUIZPEUMEPDJ-UHFFFAOYSA-N
MW332.18 g/mol
LogP1.06
Rot. Bonds4

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

1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide (PubChem CID 83093455) has the molecular formula C9H10BrN5O2S and a molecular weight of 332.18 g/mol. Its IUPAC name is 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide
PubChem CID83093455
Molecular FormulaC9H10BrN5O2S
Molecular Weight332.18 g/mol
Exact Mass330.97
IUPAC Name1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide
SMILESCc1nnnn1-c1cccc(NS(=O)(=O)CBr)c1
InChIInChI=1S/C9H10BrN5O2S/c1-7-11-13-14-15(7)9-4-2-3-8(5-9)12-18(16,17)6-10/h2-5,12H,6H2,1H3
InChIKeyAQNUIZPEUMEPDJ-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
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-methyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092605
5-chloro-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]benzenesulfonamide
CID 60532054
3-(5-methyltetrazol-1-yl)-N-prop-2-ynylaniline
CID 63951883
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-[3-(5-methyltetrazol-1-yl)phenyl]-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55663261
1-bromo-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]methanesulfonamide
CID 83092790
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
3-(5-methyltetrazol-1-yl)-N-(pyrimidin-5-ylmethyl)aniline
CID 62758600
N-(2-methylbutyl)-3-(5-methyltetrazol-1-yl)aniline
CID 43733948
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55679296
N-[(4-bromothiophen-2-yl)methyl]-3-(5-methyltetrazol-1-yl)aniline
CID 43734028
2-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide (CID 83093455) is 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide is Cc1nnnn1-c1cccc(NS(=O)(=O)CBr)c1.
What is the InChIKey of 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide?
The InChIKey is AQNUIZPEUMEPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2S/c1-7-11-13-14-15(7)9-4-2-3-8(5-9)12-18(16,17)6-10/h2-5,12H,6H2,1H3.
What are the key properties of 1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide?
1-bromo-N-[3-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide has a molecular weight of 332.18 g/mol, XLogP of 1.06, 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-(5-methyltetrazol-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 83093455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).