N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H13Cl2N3O2S — CID 61249472

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O2S/c1-7(9-3-4-10(13)11(14)5-9)17-20(18,19)12-6-15-16-8(12)2/h3-7,17H,1-2H3,(H,15,16)
InChIKeyJTDNBYVYFKCPIW-UHFFFAOYSA-N
MW334.23 g/mol
LogP3.06
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 61249472) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID61249472
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NC(C)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O2S/c1-7(9-3-4-10(13)11(14)5-9)17-20(18,19)12-6-15-16-8(12)2/h3-7,17H,1-2H3,(H,15,16)
InChIKeyJTDNBYVYFKCPIW-UHFFFAOYSA-N
XLogP3.06
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 106833768
1,2-dichloro-4-[1-(sulfamoylamino)ethyl]benzene
CID 112684116
2-bromo-N-[1-(3,4-dichlorophenyl)ethyl]benzenesulfonamide
CID 42913006
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
2,4,5-trichloro-N-[1-(3,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22200948
5-bromo-N-[1-(3,4-dichlorophenyl)ethyl]-4-methylthiophene-2-sulfonamide
CID 79998802
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79246508
N-[4-[1-(3,4-dichlorophenyl)ethylsulfamoyl]phenyl]acetamide
CID 42999054
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61125991
2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
N-(2-chloro-6-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 66257339

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 61249472) is N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NC(C)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is JTDNBYVYFKCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-7(9-3-4-10(13)11(14)5-9)17-20(18,19)12-6-15-16-8(12)2/h3-7,17H,1-2H3,(H,15,16).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 334.23 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61249472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).