3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide

C12H17N5O2S — CID 110720119

IUPAC3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1nn[nH]n1
InChIInChI=1S/C12H17N5O2S/c18-20(19,13-9-8-12-14-16-17-15-12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,14,15,16,17)
InChIKeyRNFIPBKJPJOXNP-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.29
Rot. Bonds8

About 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide

3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide (PubChem CID 110720119) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
PubChem CID110720119
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NCCc1nn[nH]n1
InChIInChI=1S/C12H17N5O2S/c18-20(19,13-9-8-12-14-16-17-15-12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,14,15,16,17)
InChIKeyRNFIPBKJPJOXNP-UHFFFAOYSA-N
XLogP0.29
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720075
N-[3-(4-fluorophenoxy)propyl]-3-phenylpropane-1-sulfonamide
CID 110288272
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
3-chloro-N-(3-phenylpropyl)propane-1-sulfonamide
CID 43654108
2-chloro-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
CID 110720133
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
3-phenyl-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propane-1-sulfonamide
CID 110317613
N-(2-imidazol-1-ylethyl)-3-phenylpropane-1-sulfonamide
CID 140993552
N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-3-phenylpropane-1-sulfonamide
CID 112500601
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110792439
N-(2-phenylethyl)-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106060179
N-[2-(cyclopentylsulfamoyl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110345821

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide (CID 110720119) is 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NCCc1nn[nH]n1.
What is the InChIKey of 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
The InChIKey is RNFIPBKJPJOXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c18-20(19,13-9-8-12-14-16-17-15-12)10-4-7-11-5-2-1-3-6-11/h1-3,5-6,13H,4,7-10H2,(H,14,15,16,17).
What are the key properties of 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide?
3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110720119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).