4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide

C15H21N7O2S — CID 122694432

IUPAC4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(c2ccc(C)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1
InChIInChI=1S/C15H21N7O2S/c1-8-2-7-11(9-3-5-10(6-4-9)14(16)17)12(13(8)25(18,23)24)15-19-21-22-20-15/h2,7,9-10H,3-6H2,1H3,(H3,16,17)(H2,18,23,24)(H,19,20,21,22)
InChIKeyBFLOEXTXRPJJLI-UHFFFAOYSA-N
MW363.45 g/mol
LogP1.03
Rot. Bonds4

About 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide

4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide (PubChem CID 122694432) has the molecular formula C15H21N7O2S and a molecular weight of 363.45 g/mol. Its IUPAC name is 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide
PubChem CID122694432
Molecular FormulaC15H21N7O2S
Molecular Weight363.45 g/mol
Exact Mass363.15
IUPAC Name4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide
SMILES[H]/N=C(\N)C1CCC(c2ccc(C)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1
InChIInChI=1S/C15H21N7O2S/c1-8-2-7-11(9-3-5-10(6-4-9)14(16)17)12(13(8)25(18,23)24)15-19-21-22-20-15/h2,7,9-10H,3-6H2,1H3,(H3,16,17)(H2,18,23,24)(H,19,20,21,22)
InChIKeyBFLOEXTXRPJJLI-UHFFFAOYSA-N
XLogP1.03
TPSA164.49 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2,3-dihydro-1H-inden-4-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130230712
6-(azetidin-3-ylsulfonyl)-3-(oxan-4-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135149752
3-[4-[[4-(aminomethyl)cyclohexyl]amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266396
3-[4-[(3-aminocyclopentyl)amino]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266376
3-[4-[[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]methyl]cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 157127658
3-[4-(azacycloundec-6-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 123858922
6-methyl-3-(1,2,3,4-tetrahydroquinolin-5-yl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 122694383
3-[4-(7-azaspiro[3.5]nonan-2-ylamino)cyclohexyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266296
3-(7-azaspiro[3.5]nonan-7-yl)-6-methyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130230599
4-[4-[3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]phenyl]piperidine-1-carboximidamide
CID 118257502
1-[4-(1,1-difluoroethyl)-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]piperidine-3-carboxamide
CID 122694484
3-[[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]cyclohexyl]methyl]piperidine
CID 158013524

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide?
The IUPAC name of 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide (CID 122694432) is 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide.
What is the SMILES notation for 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide?
The canonical SMILES for 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide is [H]/N=C(\N)C1CCC(c2ccc(C)c(S(N)(=O)=O)c2-c2nn[nH]n2)CC1.
What is the InChIKey of 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide?
The InChIKey is BFLOEXTXRPJJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O2S/c1-8-2-7-11(9-3-5-10(6-4-9)14(16)17)12(13(8)25(18,23)24)15-19-21-22-20-15/h2,7,9-10H,3-6H2,1H3,(H3,16,17)(H2,18,23,24)(H,19,20,21,22).
What are the key properties of 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide?
4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide has a molecular weight of 363.45 g/mol, XLogP of 1.03, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl]cyclohexane-1-carboximidamide is sourced from PubChem (CID 122694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).