6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

C11H10ClF2N3O2S — CID 100636255

IUPAC6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCN(c1ccn(C)n1)S(=O)(=O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C11H10ClF2N3O2S/c1-16-6-5-9(15-16)17(2)20(18,19)11-7(12)3-4-8(13)10(11)14/h3-6H,1-2H3
InChIKeyMMDZICNTUWCRDN-UHFFFAOYSA-N
MW321.74 g/mol
LogP2.18
Rot. Bonds3

About 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide

6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (PubChem CID 100636255) has the molecular formula C11H10ClF2N3O2S and a molecular weight of 321.74 g/mol. Its IUPAC name is 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
PubChem CID100636255
Molecular FormulaC11H10ClF2N3O2S
Molecular Weight321.74 g/mol
Exact Mass321.02
IUPAC Name6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
SMILESCN(c1ccn(C)n1)S(=O)(=O)c1c(Cl)ccc(F)c1F
InChIInChI=1S/C11H10ClF2N3O2S/c1-16-6-5-9(15-16)17(2)20(18,19)11-7(12)3-4-8(13)10(11)14/h3-6H,1-2H3
InChIKeyMMDZICNTUWCRDN-UHFFFAOYSA-N
XLogP2.18
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.74
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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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
2-chloro-4-fluoro-N-(3-pyrazol-1-ylpropyl)benzenesulfonamide
CID 45811498
2-chloro-4-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 2808931
1-(2-Chloro-6-fluorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 86794789
3-chloro-2-fluoro-N-(1-methyl-1H-pyrazol-3-yl)benzene-1-sulfonamide
CID 60531983
N-(2-ethylpyrazol-3-yl)-2,3,4-trifluorobenzenesulfonamide
CID 3827543
2-chloro-N-(2-ethylpyrazol-3-yl)-4-fluorobenzenesulfonamide
CID 4463380
2-fluoro-N-(2-methylpyrazol-3-yl)benzenesulfonamide
CID 5014149
3-chloro-4-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 16377885
2,4-difluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 16378088
4-chloro-2-fluoro-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 16379774

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide (CID 100636255) is 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is CN(c1ccn(C)n1)S(=O)(=O)c1c(Cl)ccc(F)c1F.
What is the InChIKey of 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is MMDZICNTUWCRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N3O2S/c1-16-6-5-9(15-16)17(2)20(18,19)11-7(12)3-4-8(13)10(11)14/h3-6H,1-2H3.
What are the key properties of 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide?
6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 321.74 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,3-difluoro-N-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 100636255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).