N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide

C16H25N5O2S — CID 67632607

IUPACN-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)(C)c1ccc(C2(CCC)N=NN=N2)cc1
InChIInChI=1S/C16H25N5O2S/c1-5-11-16(18-20-21-19-16)14-9-7-13(8-10-14)15(3,4)24(22,23)17-12-6-2/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyQSLMSVGPIBBGDU-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.04
Rot. Bonds8

About N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide

N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide (PubChem CID 67632607) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide
PubChem CID67632607
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC NameN-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide
SMILESCCCNS(=O)(=O)C(C)(C)c1ccc(C2(CCC)N=NN=N2)cc1
InChIInChI=1S/C16H25N5O2S/c1-5-11-16(18-20-21-19-16)14-9-7-13(8-10-14)15(3,4)24(22,23)17-12-6-2/h7-10,17H,5-6,11-12H2,1-4H3
InChIKeyQSLMSVGPIBBGDU-UHFFFAOYSA-N
XLogP4.04
TPSA95.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide (CID 67632607) is N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide is CCCNS(=O)(=O)C(C)(C)c1ccc(C2(CCC)N=NN=N2)cc1.
What is the InChIKey of N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide?
The InChIKey is QSLMSVGPIBBGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-5-11-16(18-20-21-19-16)14-9-7-13(8-10-14)15(3,4)24(22,23)17-12-6-2/h7-10,17H,5-6,11-12H2,1-4H3.
What are the key properties of N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide?
N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide has a molecular weight of 351.48 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[4-(5-propyltetrazol-5-yl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 67632607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).