N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide

C16H26N6O2S — CID 118376544

IUPACN-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(-c2nnnn2C)cc1
InChIInChI=1S/C16H26N6O2S/c1-13(2)25(23,24)18-12-6-4-5-11-17-15-9-7-14(8-10-15)16-19-20-21-22(16)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3
InChIKeyNIMVQNNFGPQRGQ-UHFFFAOYSA-N
MW366.49 g/mol
LogP1.79
Rot. Bonds10

About N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide

N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide (PubChem CID 118376544) has the molecular formula C16H26N6O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide
PubChem CID118376544
Molecular FormulaC16H26N6O2S
Molecular Weight366.49 g/mol
Exact Mass366.18
IUPAC NameN-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NCCCCCNc1ccc(-c2nnnn2C)cc1
InChIInChI=1S/C16H26N6O2S/c1-13(2)25(23,24)18-12-6-4-5-11-17-15-9-7-14(8-10-15)16-19-20-21-22(16)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3
InChIKeyNIMVQNNFGPQRGQ-UHFFFAOYSA-N
XLogP1.79
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide (CID 118376544) is N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NCCCCCNc1ccc(-c2nnnn2C)cc1.
What is the InChIKey of N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide?
The InChIKey is NIMVQNNFGPQRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2S/c1-13(2)25(23,24)18-12-6-4-5-11-17-15-9-7-14(8-10-15)16-19-20-21-22(16)3/h7-10,13,17-18H,4-6,11-12H2,1-3H3.
What are the key properties of N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide?
N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide has a molecular weight of 366.49 g/mol, XLogP of 1.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(1-methyltetrazol-5-yl)anilino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 118376544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).