N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide

C12H14BrN3O2S — CID 106833768

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2S/c1-8(10-3-5-11(13)6-4-10)16-19(17,18)12-7-14-15-9(12)2/h3-8,16H,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyDKISNXGISICQRP-MRVPVSSYSA-N
MW344.23 g/mol
LogP2.52
Rot. Bonds4

About N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide

N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 106833768) has the molecular formula C12H14BrN3O2S and a molecular weight of 344.23 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID106833768
Molecular FormulaC12H14BrN3O2S
Molecular Weight344.23 g/mol
Exact Mass343.00
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1
InChIInChI=1S/C12H14BrN3O2S/c1-8(10-3-5-11(13)6-4-10)16-19(17,18)12-7-14-15-9(12)2/h3-8,16H,1-2H3,(H,14,15)/t8-/m1/s1
InChIKeyDKISNXGISICQRP-MRVPVSSYSA-N
XLogP2.52
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.23
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-dichlorophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61249472
5-methyl-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60910712
5-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-2-methylbenzenesulfonamide
CID 107869104
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]benzenesulfonamide
CID 26944075
2-bromo-N-[1-(4-bromophenyl)ethyl]-4-methylbenzenesulfonamide
CID 60732136
5-amino-N-[1-(3-bromophenyl)ethyl]-1H-pyrazole-4-sulfonamide
CID 61125991
4-bromo-N-[1-(4-methylsulfonylphenyl)ethyl]benzenesulfonamide
CID 133165405
6-amino-N-[(1R)-1-(4-bromophenyl)ethyl]pyridine-3-sulfonamide
CID 107868859
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 79246508
2-amino-N-[(1S)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107869105

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide (CID 106833768) is N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is DKISNXGISICQRP-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14BrN3O2S/c1-8(10-3-5-11(13)6-4-10)16-19(17,18)12-7-14-15-9(12)2/h3-8,16H,1-2H3,(H,14,15)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 344.23 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-bromophenyl)ethyl]-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 106833768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).