N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide

C11H11Cl2N3O2S — CID 102691846

IUPACN-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H11Cl2N3O2S/c1-16(19(17,18)11-4-5-14-15-11)7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3,(H,14,15)
InChIKeyPXKYBRANWFYHFN-UHFFFAOYSA-N
MW320.20 g/mol
LogP2.54
Rot. Bonds4

About N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide

N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide (PubChem CID 102691846) has the molecular formula C11H11Cl2N3O2S and a molecular weight of 320.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
PubChem CID102691846
Molecular FormulaC11H11Cl2N3O2S
Molecular Weight320.20 g/mol
Exact Mass318.99
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
SMILESCN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H11Cl2N3O2S/c1-16(19(17,18)11-4-5-14-15-11)7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3,(H,14,15)
InChIKeyPXKYBRANWFYHFN-UHFFFAOYSA-N
XLogP2.54
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.20
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-amino-2-chlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102690547
N-[(3,4-difluorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692091
N-[(2,4-dichlorophenyl)methyl]-N,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 43401755
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692013
N-[(2,4-dichlorophenyl)methyl]-N-methylpropane-1-sulfonamide
CID 61383905
N-(5-chloropentyl)-N-methyl-1H-pyrazole-5-sulfonamide
CID 107206389
N-methyl-N-[2-(methylamino)ethyl]-1H-pyrazole-5-sulfonamide
CID 102691082
N-methyl-N-[(2-methylcyclopropyl)methyl]-1H-pyrazole-5-sulfonamide
CID 102693045
1-[(2,4-dichlorophenyl)methyl]-1-methylhydrazine
CID 82282939
N-(chloromethyl)-1-(2,4-dichlorophenyl)-N-methylmethanamine
CID 115263252
N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
5,6-dichloro-N-[(2-chlorophenyl)methyl]-N-methylpyridine-3-sulfonamide
CID 64608949

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide (CID 102691846) is N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide is CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
The InChIKey is PXKYBRANWFYHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2S/c1-16(19(17,18)11-4-5-14-15-11)7-8-2-3-9(12)6-10(8)13/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide?
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide has a molecular weight of 320.20 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N-methyl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102691846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).