2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

C12H13Cl2N3O2S — CID 45147167

IUPAC2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cnn(C)c1
InChIInChI=1S/C12H13Cl2N3O2S/c1-8(9-6-15-17(2)7-9)16-20(18,19)12-5-10(13)3-4-11(12)14/h3-8,16H,1-2H3
InChIKeyRIJFRXZSJNFVQW-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.77
Rot. Bonds4

About 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide

2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (PubChem CID 45147167) has the molecular formula C12H13Cl2N3O2S and a molecular weight of 334.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
PubChem CID45147167
Molecular FormulaC12H13Cl2N3O2S
Molecular Weight334.23 g/mol
Exact Mass333.01
IUPAC Name2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cnn(C)c1
InChIInChI=1S/C12H13Cl2N3O2S/c1-8(9-6-15-17(2)7-9)16-20(18,19)12-5-10(13)3-4-11(12)14/h3-8,16H,1-2H3
InChIKeyRIJFRXZSJNFVQW-UHFFFAOYSA-N
XLogP2.77
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201161
2,5-dichloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 92547466
2,5-dichloro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzenesulfonamide
CID 8814858
3-methyl-4-[1-(1-methylpyrazol-4-yl)ethylsulfamoyl]benzoic acid
CID 146121415
N-but-3-yn-2-yl-2,5-dichlorobenzenesulfonamide
CID 114419120
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 35276912
N-[1-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrazole-3-sulfonamide
CID 131896768
2,5-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 22201049
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2,5-dichloro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzenesulfonamide
CID 121196553
3,4-dichloro-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 35761538
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide (CID 45147167) is 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)c1cnn(C)c1.
What is the InChIKey of 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
The InChIKey is RIJFRXZSJNFVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2S/c1-8(9-6-15-17(2)7-9)16-20(18,19)12-5-10(13)3-4-11(12)14/h3-8,16H,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide?
2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide has a molecular weight of 334.23 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 45147167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).