N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide

C14H19N5O2S — CID 644481

IUPACN-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H19N5O2S/c1-18(12-5-3-2-4-6-12)22(20,21)14-9-7-13(8-10-14)19-11-15-16-17-19/h7-12H,2-6H2,1H3
InChIKeySDISHQMTEHKCDX-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.62
Rot. Bonds4

About N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide

N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide (PubChem CID 644481) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide
PubChem CID644481
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C14H19N5O2S/c1-18(12-5-3-2-4-6-12)22(20,21)14-9-7-13(8-10-14)19-11-15-16-17-19/h7-12H,2-6H2,1H3
InChIKeySDISHQMTEHKCDX-UHFFFAOYSA-N
XLogP1.62
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-1,2,3,4-tetrazol-1-yl)benzene-1-sulfonamide
CID 2316579
4-methyl-N-[4-(tetrazol-1-yl)phenyl]benzenesulfonamide
CID 8189723
1-(3-Methyl-4-tetrazol-1-yl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline
CID 24792555
1-[3-Methyl-4-(tetrazol-1-yl)phenyl]sulfonyl-4-piperidin-1-ylpiperidine
CID 4285769
N,2,6-trimethyl-N-phenyl-4-(1H-tetrazol-1-yl)benzenesulfonamide
CID 5301732
N-Benzyl-N-(4-dimethylamino-benzyl)-3-methyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650476
N,N-Dicyclohexyl-4-tetrazol-1-yl-benzenesulfonamide
CID 650971
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methyl-4-(tetrazol-1-yl)benzenesulfonamide
CID 1177024
1-Benzyl-4-[3-methyl-4-(tetrazol-1-yl)phenyl]sulfonylpiperazine
CID 1442100
N-[4-[[4-(tetrazol-1-yl)phenyl]sulfamoyl]phenyl]acetamide
CID 4849410
3-Methyl-N-(4-methyl-benzyl)-4-tetrazol-1-yl-benzenesulfonamide
CID 858103
N-Phenethyl-4-tetrazol-1-yl-benzenesulfonamide
CID 24793339

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide (CID 644481) is N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
The InChIKey is SDISHQMTEHKCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18(12-5-3-2-4-6-12)22(20,21)14-9-7-13(8-10-14)19-11-15-16-17-19/h7-12H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide?
N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-4-(tetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 644481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).