N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide

C11H14BrN5O2S — CID 131961078

IUPACN-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
SMILESCc1cc(N(Cc2nnn(C)n2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C11H14BrN5O2S/c1-8-6-9(4-5-10(8)12)17(20(3,18)19)7-11-13-15-16(2)14-11/h4-6H,7H2,1-3H3
InChIKeyVCOSWXJCWVESGR-UHFFFAOYSA-N
MW360.24 g/mol
LogP1.25
Rot. Bonds4

About N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide

N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide (PubChem CID 131961078) has the molecular formula C11H14BrN5O2S and a molecular weight of 360.24 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
PubChem CID131961078
Molecular FormulaC11H14BrN5O2S
Molecular Weight360.24 g/mol
Exact Mass359.01
IUPAC NameN-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
SMILESCc1cc(N(Cc2nnn(C)n2)S(C)(=O)=O)ccc1Br
InChIInChI=1S/C11H14BrN5O2S/c1-8-6-9(4-5-10(8)12)17(20(3,18)19)7-11-13-15-16(2)14-11/h4-6H,7H2,1-3H3
InChIKeyVCOSWXJCWVESGR-UHFFFAOYSA-N
XLogP1.25
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(4-bromo-3-methylphenyl)-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]methanesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide (CID 131961078) is N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide is Cc1cc(N(Cc2nnn(C)n2)S(C)(=O)=O)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide?
The InChIKey is VCOSWXJCWVESGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5O2S/c1-8-6-9(4-5-10(8)12)17(20(3,18)19)7-11-13-15-16(2)14-11/h4-6H,7H2,1-3H3.
What are the key properties of N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide?
N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide has a molecular weight of 360.24 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide is sourced from PubChem (CID 131961078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).