4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C11H16N6O2S — CID 106919313

IUPAC4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2nn[nH]n2)ccc1CN
InChIInChI=1S/C11H16N6O2S/c1-7-5-10(4-3-9(7)6-12)20(18,19)15-8(2)11-13-16-17-14-11/h3-5,8,15H,6,12H2,1-2H3,(H,13,14,16,17)
InChIKeyWFFDIRDMMTXUSS-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.01
Rot. Bonds5

About 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106919313) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106919313
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC(C)c2nn[nH]n2)ccc1CN
InChIInChI=1S/C11H16N6O2S/c1-7-5-10(4-3-9(7)6-12)20(18,19)15-8(2)11-13-16-17-14-11/h3-5,8,15H,6,12H2,1-2H3,(H,13,14,16,17)
InChIKeyWFFDIRDMMTXUSS-UHFFFAOYSA-N
XLogP0.01
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
4-bromo-3-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107650040
3-(aminomethyl)-2,5-dichloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051329
5-(aminomethyl)-1-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051316
4-(aminomethyl)-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106919419
5-(aminomethyl)-2-chloro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051320
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
2,6-dimethyl-4-(methylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 107328797
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051321
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
4-(aminomethyl)-N-(1-cyclopropylpropan-2-yl)-3-methylbenzenesulfonamide
CID 106919425

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 106919313) is 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is Cc1cc(S(=O)(=O)NC(C)c2nn[nH]n2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is WFFDIRDMMTXUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-7-5-10(4-3-9(7)6-12)20(18,19)15-8(2)11-13-16-17-14-11/h3-5,8,15H,6,12H2,1-2H3,(H,13,14,16,17).
What are the key properties of 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106919313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).