N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide

C11H12ClN3O2S — CID 17022676

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C11H12ClN3O2S/c1-18(16,17)14-11-6-13-15(8-11)7-9-3-2-4-10(12)5-9/h2-6,8,14H,7H2,1H3
InChIKeyPXNRONMHOOJXDD-UHFFFAOYSA-N
MW285.76 g/mol
LogP1.96
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide

N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 17022676) has the molecular formula C11H12ClN3O2S and a molecular weight of 285.76 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide
PubChem CID17022676
Molecular FormulaC11H12ClN3O2S
Molecular Weight285.76 g/mol
Exact Mass285.03
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(Cc2cccc(Cl)c2)c1
InChIInChI=1S/C11H12ClN3O2S/c1-18(16,17)14-11-6-13-15(8-11)7-9-3-2-4-10(12)5-9/h2-6,8,14H,7H2,1H3
InChIKeyPXNRONMHOOJXDD-UHFFFAOYSA-N
XLogP1.96
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 51.96
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-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide (CID 17022676) is N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is PXNRONMHOOJXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S/c1-18(16,17)14-11-6-13-15(8-11)7-9-3-2-4-10(12)5-9/h2-6,8,14H,7H2,1H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 285.76 g/mol, XLogP of 1.96, 4 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-4-yl]methanesulfonamide is sourced from PubChem (CID 17022676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).