3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

C10H10ClN3O2S — CID 2808910

IUPAC3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-14-10(5-6-12-14)13-17(15,16)9-4-2-3-8(11)7-9/h2-7,13H,1H3
InChIKeyXTRRHAGONXMDII-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.87
Rot. Bonds3

About 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide

3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 2808910) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID2808910
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
SMILESCn1nccc1NS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H10ClN3O2S/c1-14-10(5-6-12-14)13-17(15,16)9-4-2-3-8(11)7-9/h2-7,13H,1H3
InChIKeyXTRRHAGONXMDII-UHFFFAOYSA-N
XLogP1.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808893
4-chloro-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 3601935
N-[1-(propan-2-yl)-1H-pyrazol-5-yl]benzenesulfonamide
CID 4791928
3-chloro-2-methyl-N-(1-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 2808894
4-methyl-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808888
4-chloro-2,5-dimethyl-N-(1-methyl-1H-pyrazol-5-yl)benzene-1-sulfonamide
CID 2808908
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
3,4-dichloro-N-(2,5-dimethylpyrazol-3-yl)benzenesulfonamide
CID 172435660
4-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808729
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808931
4-chloro-N-(1-methylpyrazol-3-yl)-2-(trifluoromethyl)benzenesulfonamide
CID 25335240
3,5-dichloro-N-(1-phenyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 25501843

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide (CID 2808910) is 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is Cn1nccc1NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is XTRRHAGONXMDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-14-10(5-6-12-14)13-17(15,16)9-4-2-3-8(11)7-9/h2-7,13H,1H3.
What are the key properties of 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide?
3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 271.73 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 2808910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).