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

C19H26F2N4O2S — CID 53325446

IUPACN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H26F2N4O2S/c1-12-19(11-23-24-12)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,(H,23,24)/t13?,16?,18-/m1/s1
InChIKeyLAMNDLIMRMDCDY-PVCYVWKFSA-N
MW412.51 g/mol
LogP2.75
Rot. Bonds6

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

N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 53325446) 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,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID53325446
Molecular FormulaC19H26F2N4O2S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC NameN-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C19H26F2N4O2S/c1-12-19(11-23-24-12)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,(H,23,24)/t13?,16?,18-/m1/s1
InChIKeyLAMNDLIMRMDCDY-PVCYVWKFSA-N
XLogP2.75
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 53325446) is N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N(C)C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is LAMNDLIMRMDCDY-PVCYVWKFSA-N. The full InChI is InChI=1S/C19H26F2N4O2S/c1-12-19(11-23-24-12)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,(H,23,24)/t13?,16?,18-/m1/s1.
What are the key properties of N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 412.51 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]cyclohexyl]-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 53325446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).