N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide

C15H19N3O3S — CID 99983145

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C15H19N3O3S/c1-18-10-14(9-16-18)22(20,21)17-11-15(19,13-7-8-13)12-5-3-2-4-6-12/h2-6,9-10,13,17,19H,7-8,11H2,1H3/t15-/m1/s1
InChIKeyBPOQPFWBJZAQAQ-OAHLLOKOSA-N
MW321.40 g/mol
LogP1.00
Rot. Bonds6

About N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 99983145) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide
PubChem CID99983145
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)cn1
InChIInChI=1S/C15H19N3O3S/c1-18-10-14(9-16-18)22(20,21)17-11-15(19,13-7-8-13)12-5-3-2-4-6-12/h2-6,9-10,13,17,19H,7-8,11H2,1H3/t15-/m1/s1
InChIKeyBPOQPFWBJZAQAQ-OAHLLOKOSA-N
XLogP1.00
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
CID 71997142
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 76147688
(R)-2-(1-methyl-4-pyrazolylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 99873944
N-(2-hydroxy-3-phenylpropyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 75387098
N-[2-cyclopropyl-2-hydroxy-2-(thiophen-2-yl)ethyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 76147636
N-(2-(benzo[b]thiophen-2-yl)-2-hydroxypropyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 86264026
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 91631345
(R)-2-(1-methyl-4-pyrazolylsulfonylamino)-1-[p-(methylthio)phenyl]-1-ethanol
CID 97416987
(R)-2-(4-biphenylyl)-1-(1-methyl-4-pyrazolylsulfonylamino)-2-propanol
CID 99873740
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide (CID 99983145) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@@](O)(c2ccccc2)C2CC2)cn1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is BPOQPFWBJZAQAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-18-10-14(9-16-18)22(20,21)17-11-15(19,13-7-8-13)12-5-3-2-4-6-12/h2-6,9-10,13,17,19H,7-8,11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide?
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 321.40 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 99983145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).