5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

C10H13BrN6O2S — CID 106051610

IUPAC5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C10H13BrN6O2S/c1-6-8(11)2-7(4-12)3-9(6)20(18,19)13-5-10-14-16-17-15-10/h2-3,13H,4-5,12H2,1H3,(H,14,15,16,17)
InChIKeyWBBBGKAOMXBEMZ-UHFFFAOYSA-N
MW361.23 g/mol
LogP0.21
Rot. Bonds5

About 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide

5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 106051610) has the molecular formula C10H13BrN6O2S and a molecular weight of 361.23 g/mol. Its IUPAC name is 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
PubChem CID106051610
Molecular FormulaC10H13BrN6O2S
Molecular Weight361.23 g/mol
Exact Mass360.00
IUPAC Name5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1c(Br)cc(CN)cc1S(=O)(=O)NCc1nn[nH]n1
InChIInChI=1S/C10H13BrN6O2S/c1-6-8(11)2-7(4-12)3-9(6)20(18,19)13-5-10-14-16-17-15-10/h2-3,13H,4-5,12H2,1H3,(H,14,15,16,17)
InChIKeyWBBBGKAOMXBEMZ-UHFFFAOYSA-N
XLogP0.21
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-3-bromo-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016086
5-(aminomethyl)-3-bromo-N-(1H-imidazol-2-ylmethyl)-2-methylbenzenesulfonamide
CID 106069335
5-(aminomethyl)-3-bromo-N-[(3-bromothiophen-2-yl)methyl]-2-methylbenzenesulfonamide
CID 81481745
3-(aminomethyl)-5-bromo-2-fluoro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106051560
5-(aminomethyl)-3-bromo-2-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 106059205
3-amino-2-bromo-5-chloro-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 62955847
5-(aminomethyl)-3-bromo-2-methyl-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106081247
3-amino-2,5,6-trimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 106504713
5-(aminomethyl)-3-bromo-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433770
4-ethoxy-2,5-dimethyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide
CID 110720166
5-(aminomethyl)-3-bromo-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 106054607
5-(aminomethyl)-3-bromo-2-methyl-N-phenylbenzenesulfonamide
CID 81488210

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide (CID 106051610) is 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is Cc1c(Br)cc(CN)cc1S(=O)(=O)NCc1nn[nH]n1.
What is the InChIKey of 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is WBBBGKAOMXBEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN6O2S/c1-6-8(11)2-7(4-12)3-9(6)20(18,19)13-5-10-14-16-17-15-10/h2-3,13H,4-5,12H2,1H3,(H,14,15,16,17).
What are the key properties of 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide?
5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 361.23 g/mol, XLogP of 0.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-3-bromo-2-methyl-N-(2H-tetrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 106051610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).