N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide

C16H17N5O2S — CID 5301732

IUPACN,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C16H17N5O2S/c1-12-9-15(21-11-17-18-19-21)10-13(2)16(12)24(22,23)20(3)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyHIRVNNWGDSONCL-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.10
Rot. Bonds4

About N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide

N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 5301732) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID5301732
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N(C)c1ccccc1
InChIInChI=1S/C16H17N5O2S/c1-12-9-15(21-11-17-18-19-21)10-13(2)16(12)24(22,23)20(3)14-7-5-4-6-8-14/h4-11H,1-3H3
InChIKeyHIRVNNWGDSONCL-UHFFFAOYSA-N
XLogP2.10
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189723
2,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189735
1-(3-Methyl-4-tetrazol-1-yl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 24792555
N-Cyclohexyl-N-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 644481
N-Benzyl-N-(4-dimethylamino-benzyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650476
N-ethyl-4-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 847847
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177024
2,4,6-trimethyl-3-(1H-tetrazol-1-yl)benzenesulfonamide
CID 1232477
1-Benzyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442100
N-(2,2-Diphenyl-ethyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 3202148
2,4-dimethyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 4795468
N-(4-Dimethylamino-phenyl)-2,4,6-trimethyl-3-tetrazol-1-yl-benzenesulfonamide
CID 5298773

Frequently Asked Questions

What is the IUPAC name of N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 5301732) is N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide is Cc1cc(-n2cnnn2)cc(C)c1S(=O)(=O)N(C)c1ccccc1.
What is the InChIKey of N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is HIRVNNWGDSONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-9-15(21-11-17-18-19-21)10-13(2)16(12)24(22,23)20(3)14-7-5-4-6-8-14/h4-11H,1-3H3.
What are the key properties of N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide?
N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-N-phenyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 5301732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).