3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C20H25N7O2S — CID 122694450

IUPAC3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(CCC3CCCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C20H25N7O2S/c21-17-11-9-15(12-23-17)16-10-8-14(7-6-13-4-2-1-3-5-13)19(30(22,28)29)18(16)20-24-26-27-25-20/h8-13H,1-7H2,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
InChIKeyNSUJYAOCCGWUGJ-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.67
Rot. Bonds6

About 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 122694450) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID122694450
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(CCC3CCCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C20H25N7O2S/c21-17-11-9-15(12-23-17)16-10-8-14(7-6-13-4-2-1-3-5-13)19(30(22,28)29)18(16)20-24-26-27-25-20/h8-13H,1-7H2,(H2,21,23)(H2,22,28,29)(H,24,25,26,27)
InChIKeyNSUJYAOCCGWUGJ-UHFFFAOYSA-N
XLogP2.67
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(4-aminocyclohexyl)methyl]-3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266265
3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266264
bis(3-(6-amino-3-pyridinyl)-6-[(4-ethylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);bis(3-(6-amino-3-pyridinyl)-6-[2-(4-methylcyclohexyl)ethyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide);3-(6-amino-3-pyridinyl)-6-[(4-methylcyclohexyl)methyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide;3-(6-amino-3-pyridinyl)-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 158048003
N,N'-diamino-6-(6-amino-3-pyridinyl)-3-(2-cyclohexylethyl)-2-sulfamoylbenzenecarboximidamide
CID 144893497
6-[2-[4-(aminomethyl)cyclohexyl]ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130236069
3-[4-(azetidin-3-yl)phenyl]-6-(cyclohexylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 144893629
3-(6-amino-3-pyridinyl)-6-piperazin-1-ylsulfonyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 135311532
4-(6-amino-3-pyridinyl)-1-N-[(3-aminopyrrolidin-3-yl)methyl]-3-(2H-tetrazol-5-yl)benzene-1,2-disulfonamide
CID 135310764
S-[3-(6-amino-3-pyridinyl)-6-methylsulfinyl-2-(2H-tetrazol-5-yl)phenyl]thiohydroxylamine
CID 145214498
3-[4-[1-(2-hydroxyethyl)azetidin-3-yl]phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256966
6-[(3-fluoropyrrolidin-3-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265977
6-bromo-3-(4-methylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266420

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 122694450) is 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1ccc(-c2ccc(CCC3CCCCC3)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is NSUJYAOCCGWUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c21-17-11-9-15(12-23-17)16-10-8-14(7-6-13-4-2-1-3-5-13)19(30(22,28)29)18(16)20-24-26-27-25-20/h8-13H,1-7H2,(H2,21,23)(H2,22,28,29)(H,24,25,26,27).
What are the key properties of 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-6-(2-cyclohexylethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 122694450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).