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

C10H13N5O2S — CID 60675496

IUPACN-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H13N5O2S/c1-2-6-18(16,17)13-9-5-3-4-8(7-9)10-11-14-15-12-10/h3-5,7,13H,2,6H2,1H3,(H,11,12,14,15)
InChIKeyZCPUVGRNPHANKR-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.02
Rot. Bonds5

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

N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide (PubChem CID 60675496) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
PubChem CID60675496
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C10H13N5O2S/c1-2-6-18(16,17)13-9-5-3-4-8(7-9)10-11-14-15-12-10/h3-5,7,13H,2,6H2,1H3,(H,11,12,14,15)
InChIKeyZCPUVGRNPHANKR-UHFFFAOYSA-N
XLogP1.02
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide (CID 60675496) is N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
The InChIKey is ZCPUVGRNPHANKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-6-18(16,17)13-9-5-3-4-8(7-9)10-11-14-15-12-10/h3-5,7,13H,2,6H2,1H3,(H,11,12,14,15).
What are the key properties of N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 60675496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).