N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

C13H17BrN4O2S — CID 106089266

IUPACN-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)Nc2cc(C)cc(Br)c2)n[nH]c1C
InChIInChI=1S/C13H17BrN4O2S/c1-8-4-10(14)6-11(5-8)18-21(19,20)13-12(7-15-3)9(2)16-17-13/h4-6,15,18H,7H2,1-3H3,(H,16,17)
InChIKeyGCJCYPFDKQQXJL-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.31
Rot. Bonds5

About N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106089266) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106089266
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC NameN-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)Nc2cc(C)cc(Br)c2)n[nH]c1C
InChIInChI=1S/C13H17BrN4O2S/c1-8-4-10(14)6-11(5-8)18-21(19,20)13-12(7-15-3)9(2)16-17-13/h4-6,15,18H,7H2,1-3H3,(H,16,17)
InChIKeyGCJCYPFDKQQXJL-UHFFFAOYSA-N
XLogP2.31
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106076549
5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070808
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106082971
N-(3-bromo-5-methylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107584266
N-(2-chloro-6-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070674
N-(3-bromo-5-methylphenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 104937771
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
5-methyl-4-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrazole-3-sulfonamide
CID 114142069
N-(5-bromo-2-pyridinyl)-4-(ethylaminomethyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106020549
N-(2-ethoxyethyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 114137677
4-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106085938

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (CID 106089266) is N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)Nc2cc(C)cc(Br)c2)n[nH]c1C.
What is the InChIKey of N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is GCJCYPFDKQQXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-8-4-10(14)6-11(5-8)18-21(19,20)13-12(7-15-3)9(2)16-17-13/h4-6,15,18H,7H2,1-3H3,(H,16,17).
What are the key properties of N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide has a molecular weight of 373.28 g/mol, XLogP of 2.31, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106089266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).