5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

C12H12ClN3O4S — CID 81352466

IUPAC5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1[nH]ncc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3O4S/c1-7(8-3-2-4-9(13)5-8)16-21(19,20)11-10(12(17)18)6-14-15-11/h2-7,16H,1H3,(H,14,15)(H,17,18)/t7-/m0/s1
InChIKeyNOBPSUWIZSECGG-ZETCQYMHSA-N
MW329.77 g/mol
LogP1.80
Rot. Bonds5

About 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 81352466) has the molecular formula C12H12ClN3O4S and a molecular weight of 329.77 g/mol. Its IUPAC name is 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID81352466
Molecular FormulaC12H12ClN3O4S
Molecular Weight329.77 g/mol
Exact Mass329.02
IUPAC Name5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESC[C@H](NS(=O)(=O)c1[nH]ncc1C(=O)O)c1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3O4S/c1-7(8-3-2-4-9(13)5-8)16-21(19,20)11-10(12(17)18)6-14-15-11/h2-7,16H,1H3,(H,14,15)(H,17,18)/t7-/m0/s1
InChIKeyNOBPSUWIZSECGG-ZETCQYMHSA-N
XLogP1.80
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(5-chloro-1-benzofuran-2-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 166398046
4-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81352467
5-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 106281469
4-amino-N-[1-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 61106355
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
5-(hexan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 62200773
N-[1-(3-chlorophenyl)ethyl]thiophene-2-sulfonamide
CID 51169508
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
5-(heptan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933933
2-amino-N-[1-(3-chlorophenyl)ethyl]-4-methylbenzenesulfonamide
CID 61105225
5-amino-N-[1-(3-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 61106723
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177

Frequently Asked Questions

What is the IUPAC name of 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 81352466) is 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is C[C@H](NS(=O)(=O)c1[nH]ncc1C(=O)O)c1cccc(Cl)c1.
What is the InChIKey of 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is NOBPSUWIZSECGG-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H12ClN3O4S/c1-7(8-3-2-4-9(13)5-8)16-21(19,20)11-10(12(17)18)6-14-15-11/h2-7,16H,1H3,(H,14,15)(H,17,18)/t7-/m0/s1.
What are the key properties of 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 329.77 g/mol, XLogP of 1.80, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1S)-1-(3-chlorophenyl)ethyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 81352466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).