N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide

C19H26F2N4O2S — CID 53324142

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C19H26F2N4O2S/c1-24-11-19(23-12-24)28(26,27)25(2)16-6-3-13(4-7-16)18(22)10-14-9-15(20)5-8-17(14)21/h5,8-9,11-13,16,18H,3-4,6-7,10,22H2,1-2H3/t13?,16?,18-/m1/s1
InChIKeySGRADAQTYSAZBP-PVCYVWKFSA-N
MW412.51 g/mol
LogP2.45
Rot. Bonds6

About N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide (PubChem CID 53324142) has the molecular formula C19H26F2N4O2S and a molecular weight of 412.51 g/mol. Its IUPAC name is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide
PubChem CID53324142
Molecular FormulaC19H26F2N4O2S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide
SMILESCN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cn(C)cn1
InChIInChI=1S/C19H26F2N4O2S/c1-24-11-19(23-12-24)28(26,27)25(2)16-6-3-13(4-7-16)18(22)10-14-9-15(20)5-8-17(14)21/h5,8-9,11-13,16,18H,3-4,6-7,10,22H2,1-2H3/t13?,16?,18-/m1/s1
InChIKeySGRADAQTYSAZBP-PVCYVWKFSA-N
XLogP2.45
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide (CID 53324142) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide is CN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1cn(C)cn1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide?
The InChIKey is SGRADAQTYSAZBP-PVCYVWKFSA-N. The full InChI is InChI=1S/C19H26F2N4O2S/c1-24-11-19(23-12-24)28(26,27)25(2)16-6-3-13(4-7-16)18(22)10-14-9-15(20)5-8-17(14)21/h5,8-9,11-13,16,18H,3-4,6-7,10,22H2,1-2H3/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide has a molecular weight of 412.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,1-dimethylimidazole-4-sulfonamide is sourced from PubChem (CID 53324142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).