1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride

C9H15ClN2O3S — CID 98468868

IUPAC1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride
SMILESCC(C)O[C@H](C)Cn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H15ClN2O3S/c1-7(2)15-8(3)5-12-6-9(4-11-12)16(10,13)14/h4,6-8H,5H2,1-3H3/t8-/m1/s1
InChIKeyMSPZDTCASQQITJ-MRVPVSSYSA-N
MW266.75 g/mol
LogP1.62
Rot. Bonds5

About 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride

1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride (PubChem CID 98468868) has the molecular formula C9H15ClN2O3S and a molecular weight of 266.75 g/mol. Its IUPAC name is 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride.

Molecular Properties

Compound Name1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride
PubChem CID98468868
Molecular FormulaC9H15ClN2O3S
Molecular Weight266.75 g/mol
Exact Mass266.05
IUPAC Name1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride
SMILESCC(C)O[C@H](C)Cn1cc(S(=O)(=O)Cl)cn1
InChIInChI=1S/C9H15ClN2O3S/c1-7(2)15-8(3)5-12-6-9(4-11-12)16(10,13)14/h4,6-8H,5H2,1-3H3/t8-/m1/s1
InChIKeyMSPZDTCASQQITJ-MRVPVSSYSA-N
XLogP1.62
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-but-2-ynylpyrazole-4-sulfonyl chloride
CID 82911175
1-(2-propan-2-ylsulfonylethyl)pyrazole-4-sulfonyl chloride
CID 106728488
1-(4-methoxybutyl)pyrazole-4-sulfonyl chloride
CID 104648863
1-octylpyrazole-4-sulfonyl chloride
CID 60912236
1-(3-ethoxypropyl)pyrazole-4-sulfonyl chloride
CID 65180837
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-ol
CID 165472464
(2R)-1-(4-methylsulfonylpyrazol-1-yl)propan-2-amine
CID 165473094
1-(3-fluoropropyl)pyrazole-4-sulfonyl chloride
CID 81113658
1-(3-methylbut-3-enyl)pyrazole-4-sulfonyl chloride
CID 114476375
1-but-3-ynylpyrazole-4-sulfonyl chloride
CID 82911980
1-(2-hydroxypropyl)pyrazole-4-sulfonamide
CID 130536517
1-(4-cyano-4-methylpentyl)pyrazole-4-sulfonyl chloride
CID 82914187

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride?
The IUPAC name of 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride (CID 98468868) is 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride.
What is the SMILES notation for 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride?
The canonical SMILES for 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride is CC(C)O[C@H](C)Cn1cc(S(=O)(=O)Cl)cn1.
What is the InChIKey of 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride?
The InChIKey is MSPZDTCASQQITJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H15ClN2O3S/c1-7(2)15-8(3)5-12-6-9(4-11-12)16(10,13)14/h4,6-8H,5H2,1-3H3/t8-/m1/s1.
What are the key properties of 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride?
1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride has a molecular weight of 266.75 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-propan-2-yloxypropyl]pyrazole-4-sulfonyl chloride is sourced from PubChem (CID 98468868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).