5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

C11H12FN3O2S — CID 61283363

IUPAC5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H12FN3O2S/c1-8-2-3-9(12)6-11(8)18(16,17)14-7-10-4-5-13-15-10/h2-6,14H,7H2,1H3,(H,13,15)
InChIKeyMJWGZZQJMXKYDT-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.34
Rot. Bonds4

About 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide

5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (PubChem CID 61283363) has the molecular formula C11H12FN3O2S and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
PubChem CID61283363
Molecular FormulaC11H12FN3O2S
Molecular Weight269.30 g/mol
Exact Mass269.06
IUPAC Name5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NCc1ccn[nH]1
InChIInChI=1S/C11H12FN3O2S/c1-8-2-3-9(12)6-11(8)18(16,17)14-7-10-4-5-13-15-10/h2-6,14H,7H2,1H3,(H,13,15)
InChIKeyMJWGZZQJMXKYDT-UHFFFAOYSA-N
XLogP1.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-5-(1H-pyrazol-5-ylmethylamino)benzenesulfonamide
CID 43717561
3-fluoro-4-(1H-pyrazol-5-ylmethylsulfamoyl)benzoic acid
CID 79187222
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 39657352
N-(4-bromo-1H-pyrazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3698750
N-(3-bromopropyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43167190
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-[[2-(dimethylamino)phenyl]methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 75493750
N-[(2,5-dichlorophenyl)methyl]-5-fluoro-2-methylbenzenesulfonamide
CID 5017965
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
5-fluoro-2-methyl-N-[(E)-pent-3-enyl]benzenesulfonamide
CID 115628679
2,5-difluoro-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 54883734

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide (CID 61283363) is 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NCc1ccn[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
The InChIKey is MJWGZZQJMXKYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S/c1-8-2-3-9(12)6-11(8)18(16,17)14-7-10-4-5-13-15-10/h2-6,14H,7H2,1H3,(H,13,15).
What are the key properties of 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide?
5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide has a molecular weight of 269.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61283363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).