N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

C16H18N6O2S — CID 133412491

IUPACN-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCS(=O)(=O)c1ccccc1NCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C16H18N6O2S/c1-25(23,24)15-10-6-5-9-14(15)17-11-12-18-16-19-20-21-22(16)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19,21)
InChIKeyQOZAPPUGTPIVFD-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.59
Rot. Bonds7

About N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine

N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (PubChem CID 133412491) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
PubChem CID133412491
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC NameN-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
SMILESCS(=O)(=O)c1ccccc1NCCNc1nnnn1-c1ccccc1
InChIInChI=1S/C16H18N6O2S/c1-25(23,24)15-10-6-5-9-14(15)17-11-12-18-16-19-20-21-22(16)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19,21)
InChIKeyQOZAPPUGTPIVFD-UHFFFAOYSA-N
XLogP1.59
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
methyl 3-[(1-phenyltetrazol-5-yl)amino]propanoate
CID 60631997
N-[2-(2-methylphenyl)ethyl]-1-phenyltetrazol-5-amine
CID 9250575
1-methyl-N-[2-[(1-phenyltetrazol-5-yl)amino]ethyl]pyrrole-2-carboxamide
CID 78896414
N-(1,3-dimethyl-4-nitropyrazol-5-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 75379724
N'-(2-methylsulfonylphenyl)propane-1,3-diamine
CID 43453491
N-(6-ethyl-2-methylpyrimidin-4-yl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine
CID 133472424
1-phenyl-N-[2-(4-propan-2-ylphenyl)ethyl]tetrazol-5-amine
CID 9107188
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-phenyltetrazol-5-amine
CID 133459238
2,3-dimethyl-3-[(1-phenyltetrazol-5-yl)amino]butan-2-ol
CID 106186033
2-methylsulfonyl-N-[(1-phenyltetrazol-5-yl)methyl]benzamide
CID 18565660
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyridine-2-carbonitrile
CID 133412520

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The IUPAC name of N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine (CID 133412491) is N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The canonical SMILES for N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is CS(=O)(=O)c1ccccc1NCCNc1nnnn1-c1ccccc1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
The InChIKey is QOZAPPUGTPIVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-25(23,24)15-10-6-5-9-14(15)17-11-12-18-16-19-20-21-22(16)13-7-3-2-4-8-13/h2-10,17H,11-12H2,1H3,(H,18,19,21).
What are the key properties of N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine?
N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine has a molecular weight of 358.43 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-N'-(1-phenyltetrazol-5-yl)ethane-1,2-diamine is sourced from PubChem (CID 133412491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).