N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide

C12H14ClN3O2S — CID 17022849

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3O2S/c1-2-19(17,18)15-12-6-7-16(14-12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyFXNLQICCRDIQTH-UHFFFAOYSA-N
MW299.78 g/mol
LogP2.35
Rot. Bonds5

About N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide (PubChem CID 17022849) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
PubChem CID17022849
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C12H14ClN3O2S/c1-2-19(17,18)15-12-6-7-16(14-12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3,(H,14,15)
InChIKeyFXNLQICCRDIQTH-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide (CID 17022849) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide is CCS(=O)(=O)Nc1ccn(Cc2cccc(Cl)c2)n1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
The InChIKey is FXNLQICCRDIQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S/c1-2-19(17,18)15-12-6-7-16(14-12)9-10-4-3-5-11(13)8-10/h3-8H,2,9H2,1H3,(H,14,15).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide has a molecular weight of 299.78 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]ethanesulfonamide is sourced from PubChem (CID 17022849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).