N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide

C11H13N3O3S — CID 107863427

IUPACN-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C11H13N3O3S/c15-8-10(9-4-2-1-3-5-9)14-18(16,17)11-6-7-12-13-11/h1-7,10,14-15H,8H2,(H,12,13)/t10-/m1/s1
InChIKeyWBSZBUZHRFROBP-SNVBAGLBSA-N
MW267.31 g/mol
LogP0.42
Rot. Bonds5

About N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 107863427) has the molecular formula C11H13N3O3S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
PubChem CID107863427
Molecular FormulaC11H13N3O3S
Molecular Weight267.31 g/mol
Exact Mass267.07
IUPAC NameN-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(N[C@H](CO)c1ccccc1)c1ccn[nH]1
InChIInChI=1S/C11H13N3O3S/c15-8-10(9-4-2-1-3-5-9)14-18(16,17)11-6-7-12-13-11/h1-7,10,14-15H,8H2,(H,12,13)/t10-/m1/s1
InChIKeyWBSZBUZHRFROBP-SNVBAGLBSA-N
XLogP0.42
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
CID 102690630
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
5-amino-N-(2-hydroxy-1-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 55160188
N-[1-(3-chlorophenyl)propyl]-1H-pyrazole-5-sulfonamide
CID 102692460
N-[(1R)-2-hydroxy-1-phenylethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 39404732
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
4-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690972
N-(1-hydroxypentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 102693399
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
2-phenyl-2-(1H-pyrazol-5-ylmethylamino)ethanol
CID 63182762

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide (CID 107863427) is N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(N[C@H](CO)c1ccccc1)c1ccn[nH]1.
What is the InChIKey of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is WBSZBUZHRFROBP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13N3O3S/c15-8-10(9-4-2-1-3-5-9)14-18(16,17)11-6-7-12-13-11/h1-7,10,14-15H,8H2,(H,12,13)/t10-/m1/s1.
What are the key properties of N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide?
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 267.31 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107863427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).