3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide

C12H18N6O2S — CID 106051321

IUPAC3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C12H18N6O2S/c1-3-13-8-10-5-4-6-11(7-10)21(19,20)16-9(2)12-14-17-18-15-12/h4-7,9,13,16H,3,8H2,1-2H3,(H,14,15,17,18)
InChIKeyWABQSNGSRZVITK-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.35
Rot. Bonds7

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

3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (PubChem CID 106051321) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
PubChem CID106051321
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
SMILESCCNCc1cccc(S(=O)(=O)NC(C)c2nn[nH]n2)c1
InChIInChI=1S/C12H18N6O2S/c1-3-13-8-10-5-4-6-11(7-10)21(19,20)16-9(2)12-14-17-18-15-12/h4-7,9,13,16H,3,8H2,1-2H3,(H,14,15,17,18)
InChIKeyWABQSNGSRZVITK-UHFFFAOYSA-N
XLogP0.35
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-3-(ethylaminomethyl)benzenesulfonamide
CID 106074311
4-amino-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 55207573
2-fluoro-4-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051400
4-(aminomethyl)-3-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106919313
4-(propylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]thiophene-2-sulfonamide
CID 106051386
1-ethyl-5-(methylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051433
5-(aminomethyl)-2-fluoro-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 106051346
3-(ethylamino)-N-[1-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 106051367
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
5-(aminomethyl)-1-ethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051316
3-fluoro-4-[1-(2H-tetrazol-5-yl)ethylsulfamoyl]benzoic acid
CID 79177706
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide (CID 106051321) is 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is CCNCc1cccc(S(=O)(=O)NC(C)c2nn[nH]n2)c1.
What is the InChIKey of 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
The InChIKey is WABQSNGSRZVITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-13-8-10-5-4-6-11(7-10)21(19,20)16-9(2)12-14-17-18-15-12/h4-7,9,13,16H,3,8H2,1-2H3,(H,14,15,17,18).
What are the key properties of 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide?
3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-[1-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106051321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).