N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide

C11H11Cl2N3O2S — CID 22206402

IUPACN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2S/c1-19(17,18)15-11-10(13)7-16(14-11)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyPBHKAQBWIZRIDY-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.61
Rot. Bonds4

About N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 22206402) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
PubChem CID22206402
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC NameN-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl
InChIInChI=1S/C11H11Cl2N3O2S/c1-19(17,18)15-11-10(13)7-16(14-11)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyPBHKAQBWIZRIDY-UHFFFAOYSA-N
XLogP2.61
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-nitrobenzenesulfonamide
CID 22206393
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]butanamide
CID 19344988
1-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19397242
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19287198
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3-methylpyrazol-1-yl)acetamide
CID 19521057
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 39853499
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 22205796
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-phenylmethanesulfonamide
CID 22207135
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2,6-dimethoxybenzamide
CID 19344949
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569925
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132
2-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19517227

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide (CID 22206402) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is PBHKAQBWIZRIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c1-19(17,18)15-11-10(13)7-16(14-11)6-8-4-2-3-5-9(8)12/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 320.20 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 22206402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).