N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide

C11H15N3O3S2 — CID 97239434

IUPACN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)cn1
InChIInChI=1S/C11H15N3O3S2/c1-11(15,9-3-4-18-7-9)8-13-19(16,17)10-5-12-14(2)6-10/h3-7,13,15H,8H2,1-2H3/t11-/m0/s1
InChIKeyRVHBQVIOPVOEOO-NSHDSACASA-N
MW301.39 g/mol
LogP0.67
Rot. Bonds5

About N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide

N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide (PubChem CID 97239434) has the molecular formula C11H15N3O3S2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
PubChem CID97239434
Molecular FormulaC11H15N3O3S2
Molecular Weight301.39 g/mol
Exact Mass301.06
IUPAC NameN-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)cn1
InChIInChI=1S/C11H15N3O3S2/c1-11(15,9-3-4-18-7-9)8-13-19(16,17)10-5-12-14(2)6-10/h3-7,13,15H,8H2,1-2H3/t11-/m0/s1
InChIKeyRVHBQVIOPVOEOO-NSHDSACASA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-1-methylpyrazole-4-sulfonamide
CID 124892244
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]pyrazole-4-sulfonamide
CID 99819088
N-(2-hydroxy-2-thiophen-3-ylethyl)-1-methylpyrazole-4-sulfonamide
CID 113351389
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 97065958
N-(2-hydroxy-2-thiophen-3-ylpropyl)-3,3-dimethylbutane-1-sulfonamide
CID 111448426
N-(4-bromo-2,2-dimethylbutyl)-1-methylpyrazole-4-sulfonamide
CID 106145835
N-[2-hydroxy-2-(5-thiophen-3-ylthiophen-2-yl)ethyl]-1-methylpyrazole-4-sulfonamide
CID 131702049
1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-2-thiophen-3-ylpropan-2-ol
CID 110010798
1-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]pyrazole-4-sulfonamide
CID 91625719
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-thiophen-3-ylprop-2-enamide
CID 71867261
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(thiophen-3-ylmethyl)urea
CID 111458011
2-chloro-5-fluoro-N-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]benzenesulfonamide
CID 97239456

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide (CID 97239434) is N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NC[C@](C)(O)c2ccsc2)cn1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is RVHBQVIOPVOEOO-NSHDSACASA-N. The full InChI is InChI=1S/C11H15N3O3S2/c1-11(15,9-3-4-18-7-9)8-13-19(16,17)10-5-12-14(2)6-10/h3-7,13,15H,8H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide?
N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 301.39 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-thiophen-3-ylpropyl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 97239434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).