6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

C24H35N7O2S — CID 134823676

IUPAC6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNC1CCC(CCc2ccc(-c3ccc(C4CNC4)cc3)c(C3NNNN3)c2S(N)(=O)=O)CC1
InChIInChI=1S/C24H35N7O2S/c25-20-10-2-15(3-11-20)1-4-18-9-12-21(17-7-5-16(6-8-17)19-13-27-14-19)22(23(18)34(26,32)33)24-28-30-31-29-24/h5-9,12,15,19-20,24,27-31H,1-4,10-11,13-14,25H2,(H2,26,32,33)
InChIKeyNFXLCSSEXXBVSL-UHFFFAOYSA-N
MW485.66 g/mol
LogP1.25
Rot. Bonds7

About 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide

6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (PubChem CID 134823676) has the molecular formula C24H35N7O2S and a molecular weight of 485.66 g/mol. Its IUPAC name is 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
PubChem CID134823676
Molecular FormulaC24H35N7O2S
Molecular Weight485.66 g/mol
Exact Mass485.26
IUPAC Name6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide
SMILESNC1CCC(CCc2ccc(-c3ccc(C4CNC4)cc3)c(C3NNNN3)c2S(N)(=O)=O)CC1
InChIInChI=1S/C24H35N7O2S/c25-20-10-2-15(3-11-20)1-4-18-9-12-21(17-7-5-16(6-8-17)19-13-27-14-19)22(23(18)34(26,32)33)24-28-30-31-29-24/h5-9,12,15,19-20,24,27-31H,1-4,10-11,13-14,25H2,(H2,26,32,33)
InChIKeyNFXLCSSEXXBVSL-UHFFFAOYSA-N
XLogP1.25
TPSA146.33 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.66
LogP ≤ 51.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

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Related Compounds

6-[2-[4-(aminomethyl)cyclohexyl]ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 130236069
3-[4-(1-pyrrolidin-3-ylazetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823769
3-[4-(1-pyrrolidin-3-ylpiperidin-4-yl)phenyl]-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823757
3-[4-(azetidin-3-yl)phenyl]-6-(cyclohexylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 144893629
3-(cyclohexylmethyl)-6-(4-pyrrolidin-3-ylphenyl)-2-sulfamoylbenzenecarboximidamide;methanamine
CID 144893211
3-(4-pyrazolidin-3-ylphenyl)-2-(tetrazolidin-5-yl)benzenesulfonamide
CID 134823491
6-[(3-fluoropyrrolidin-3-yl)methyl]-3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118265977
N,N'-diamino-6-(6-amino-3-pyridinyl)-3-(2-cyclohexylethyl)-2-sulfamoylbenzenecarboximidamide
CID 144893497
3-[4-[1-(2-hydroxyethyl)azetidin-3-yl]phenyl]-6-(piperidin-4-ylmethyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118256966
3-(4-piperidin-4-ylphenyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266421
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
3-[4-[1-[4-(2-aminoethyl)cyclohexyl]piperidin-4-yl]phenyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266462

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The IUPAC name of 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide (CID 134823676) is 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide.
What is the SMILES notation for 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The canonical SMILES for 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is NC1CCC(CCc2ccc(-c3ccc(C4CNC4)cc3)c(C3NNNN3)c2S(N)(=O)=O)CC1.
What is the InChIKey of 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
The InChIKey is NFXLCSSEXXBVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N7O2S/c25-20-10-2-15(3-11-20)1-4-18-9-12-21(17-7-5-16(6-8-17)19-13-27-14-19)22(23(18)34(26,32)33)24-28-30-31-29-24/h5-9,12,15,19-20,24,27-31H,1-4,10-11,13-14,25H2,(H2,26,32,33).
What are the key properties of 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide?
6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide has a molecular weight of 485.66 g/mol, XLogP of 1.25, 7 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-aminocyclohexyl)ethyl]-3-[4-(azetidin-3-yl)phenyl]-2-(tetrazolidin-5-yl)benzenesulfonamide is sourced from PubChem (CID 134823676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).