N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide

C10H13N5O2S — CID 110720244

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5O2S/c1-2-7-18(16,17)13-9-5-3-8(4-6-9)10-11-14-15-12-10/h3-6,13H,2,7H2,1H3,(H,11,12,14,15)
InChIKeyUNZGRGJDURUDJI-UHFFFAOYSA-N
MW267.31 g/mol
LogP1.02
Rot. Bonds5

About N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide

N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide (PubChem CID 110720244) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
PubChem CID110720244
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C10H13N5O2S/c1-2-7-18(16,17)13-9-5-3-8(4-6-9)10-11-14-15-12-10/h3-6,13H,2,7H2,1H3,(H,11,12,14,15)
InChIKeyUNZGRGJDURUDJI-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-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide (CID 110720244) is N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
The InChIKey is UNZGRGJDURUDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-2-7-18(16,17)13-9-5-3-8(4-6-9)10-11-14-15-12-10/h3-6,13H,2,7H2,1H3,(H,11,12,14,15).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide?
N-[4-(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-[4-(2H-tetrazol-5-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 110720244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).