N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide

C11H11BrFN3O2S — CID 22206597

IUPACN-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C11H11BrFN3O2S/c1-19(17,18)15-11-10(12)7-16(14-11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyBIBDFCXYKFQKQM-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.20
Rot. Bonds4

About N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide

N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide (PubChem CID 22206597) has the molecular formula C11H11BrFN3O2S and a molecular weight of 348.20 g/mol. Its IUPAC name is N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
PubChem CID22206597
Molecular FormulaC11H11BrFN3O2S
Molecular Weight348.20 g/mol
Exact Mass346.97
IUPAC NameN-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(Cc2ccc(F)cc2)cc1Br
InChIInChI=1S/C11H11BrFN3O2S/c1-19(17,18)15-11-10(12)7-16(14-11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyBIBDFCXYKFQKQM-UHFFFAOYSA-N
XLogP2.20
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Fluorobenzyl)-1H-pyrazol-3-amine
CID 573281
4-Bromo-1-[(2,5-difluorophenyl)methyl]-3-nitropyrazole
CID 54978397
1-(2-Fluoro-benzyl)-1H-pyrazol-3-ylamine
CID 3424808
1-(3-fluorobenzyl)-1H-pyrazol-3-amine
CID 6483868
methyl [4-bromo-1-(2-fluorobenzyl)-1H-pyrazol-3-yl]carbamate
CID 1246021
1-(4-fluorobenzyl)-4-methyl-1H-pyrazol-3-amine
CID 45602184
1-benzyl-4-methyl-1H-pyrazol-3-amine
CID 45602185
1-[(3,4-Difluorophenyl)methyl]-1H-pyrazol-3-amine
CID 75357816
1-(2-Fluorobenzyl)-1H-pyrazol-3-amine hydrochloride
CID 44120957
N-[1-(2-chloro-4-fluorobenzyl)-1H-pyrazol-3-yl]methanesulfonamide
CID 17022617
N-[1-(3-fluorobenzyl)-1H-pyrazol-3-yl]ethanesulfonamide
CID 17022757
{1-[(2-Chloro-6-fluorophenyl)methyl]pyrazol-3-yl}(ethylsulfonyl)amine
CID 17374646

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The IUPAC name of N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide (CID 22206597) is N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nn(Cc2ccc(F)cc2)cc1Br.
What is the InChIKey of N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
The InChIKey is BIBDFCXYKFQKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O2S/c1-19(17,18)15-11-10(12)7-16(14-11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide?
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide has a molecular weight of 348.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]methanesulfonamide is sourced from PubChem (CID 22206597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).