2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide

C12H13ClFN3O2S — CID 94024873

IUPAC2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFN3O2S/c1-9(8-17-6-2-5-15-17)16-20(18,19)12-4-3-10(14)7-11(12)13/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyUSELVDAQIHCQHJ-SECBINFHSA-N
MW317.77 g/mol
LogP2.04
Rot. Bonds5

About 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide

2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide (PubChem CID 94024873) has the molecular formula C12H13ClFN3O2S and a molecular weight of 317.77 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
PubChem CID94024873
Molecular FormulaC12H13ClFN3O2S
Molecular Weight317.77 g/mol
Exact Mass317.04
IUPAC Name2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C12H13ClFN3O2S/c1-9(8-17-6-2-5-15-17)16-20(18,19)12-4-3-10(14)7-11(12)13/h2-7,9,16H,8H2,1H3/t9-/m1/s1
InChIKeyUSELVDAQIHCQHJ-SECBINFHSA-N
XLogP2.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.77
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-fluoro-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 63322842
2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-5-sulfonamide
CID 61052500
4-(aminomethyl)-2-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106996794
4-(aminomethyl)-2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 106009441
4-amino-2-chloro-N-(1-imidazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61479552
3-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 61459524
4-bromo-2-chloro-N-(2-methyl-3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 55735040
6-hydrazinyl-N-(1-pyrazol-1-ylpropan-2-yl)pyridine-3-sulfonamide
CID 61460819
N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 94023228
N-(1-pyrazol-1-ylpropan-2-yl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107421967
4-amino-2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)benzenesulfonamide
CID 79569041
5-(aminomethyl)-1-methyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009439

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide (CID 94024873) is 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide is C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is USELVDAQIHCQHJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClFN3O2S/c1-9(8-17-6-2-5-15-17)16-20(18,19)12-4-3-10(14)7-11(12)13/h2-7,9,16H,8H2,1H3/t9-/m1/s1.
What are the key properties of 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide?
2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 317.77 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 94024873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).