3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide

C13H18N4O3S — CID 107860621

IUPAC3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)c(N)n1
InChIInChI=1S/C13H18N4O3S/c1-17-8-12(13(14)15-17)21(19,20)16-11(9-18)7-10-5-3-2-4-6-10/h2-6,8,11,16,18H,7,9H2,1H3,(H2,14,15)/t11-/m1/s1
InChIKeyKXOGUGIOMXUESU-LLVKDONJSA-N
MW310.38 g/mol
LogP-0.12
Rot. Bonds6

About 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide

3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 107860621) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID107860621
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)c(N)n1
InChIInChI=1S/C13H18N4O3S/c1-17-8-12(13(14)15-17)21(19,20)16-11(9-18)7-10-5-3-2-4-6-10/h2-6,8,11,16,18H,7,9H2,1H3,(H2,14,15)/t11-/m1/s1
InChIKeyKXOGUGIOMXUESU-LLVKDONJSA-N
XLogP-0.12
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61240297
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2,5-dimethylthiophene-3-sulfonamide
CID 102675582
N-(1-hydroxy-3-phenylpropan-2-yl)-4-methylbenzenesulfonamide
CID 5155581
3-amino-N-benzyl-N-(2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 61110904
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
N-(1-hydroxy-3-phenylpropan-2-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 110673571
(2R)-3-phenyl-2-(propan-2-ylsulfamoylamino)propan-1-ol
CID 102675491
3-amino-1-ethyl-N-(1-hydroxy-4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 61240299
4-ethoxy-N-(1-hydroxy-3-phenylpropan-2-yl)-2,5-dimethylbenzenesulfonamide
CID 110673589
3-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 115454064

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide (CID 107860621) is 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)N[C@@H](CO)Cc2ccccc2)c(N)n1.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is KXOGUGIOMXUESU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-17-8-12(13(14)15-17)21(19,20)16-11(9-18)7-10-5-3-2-4-6-10/h2-6,8,11,16,18H,7,9H2,1H3,(H2,14,15)/t11-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide?
3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 107860621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).