4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide

C7H12ClN3O3S — CID 106150769

IUPAC4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H12ClN3O3S/c1-5(4-12)10-15(13,14)7-6(8)3-9-11(7)2/h3,5,10,12H,4H2,1-2H3/t5-/m0/s1
InChIKeyOMSRNSBKSKIFDE-YFKPBYRVSA-N
MW253.71 g/mol
LogP-0.27
Rot. Bonds4

About 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide

4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide (PubChem CID 106150769) has the molecular formula C7H12ClN3O3S and a molecular weight of 253.71 g/mol. Its IUPAC name is 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
PubChem CID106150769
Molecular FormulaC7H12ClN3O3S
Molecular Weight253.71 g/mol
Exact Mass253.03
IUPAC Name4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide
SMILESC[C@@H](CO)NS(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C7H12ClN3O3S/c1-5(4-12)10-15(13,14)7-6(8)3-9-11(7)2/h3,5,10,12H,4H2,1-2H3/t5-/m0/s1
InChIKeyOMSRNSBKSKIFDE-YFKPBYRVSA-N
XLogP-0.27
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide (CID 106150769) is 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide is C[C@@H](CO)NS(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide?
The InChIKey is OMSRNSBKSKIFDE-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H12ClN3O3S/c1-5(4-12)10-15(13,14)7-6(8)3-9-11(7)2/h3,5,10,12H,4H2,1-2H3/t5-/m0/s1.
What are the key properties of 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide?
4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide has a molecular weight of 253.71 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S)-1-hydroxypropan-2-yl]-1-methylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).