N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

C13H17BrN4O2S — CID 106076549

IUPACN-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)Nc2cc(C)ccc2Br)n[nH]c1C
InChIInChI=1S/C13H17BrN4O2S/c1-8-4-5-11(14)12(6-8)18-21(19,20)13-10(7-15-3)9(2)16-17-13/h4-6,15,18H,7H2,1-3H3,(H,16,17)
InChIKeyMEHVCSPUESYRDA-UHFFFAOYSA-N
MW373.28 g/mol
LogP2.31
Rot. Bonds5

About N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide

N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (PubChem CID 106076549) has the molecular formula C13H17BrN4O2S and a molecular weight of 373.28 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
PubChem CID106076549
Molecular FormulaC13H17BrN4O2S
Molecular Weight373.28 g/mol
Exact Mass372.03
IUPAC NameN-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
SMILESCNCc1c(S(=O)(=O)Nc2cc(C)ccc2Br)n[nH]c1C
InChIInChI=1S/C13H17BrN4O2S/c1-8-4-5-11(14)12(6-8)18-21(19,20)13-10(7-15-3)9(2)16-17-13/h4-6,15,18H,7H2,1-3H3,(H,16,17)
InChIKeyMEHVCSPUESYRDA-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-(3-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106089266
N-(5-bromo-4-methyl-2-pyridinyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070808
4-(aminomethyl)-N-(2-bromophenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106061259
4-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)-5-methyl-1H-pyrazole-3-sulfonamide
CID 106067194
5-methyl-4-(methylaminomethyl)-N-thiophen-3-yl-1H-pyrazole-3-sulfonamide
CID 106069925
N-(2-chloro-6-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106070674
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide
CID 106082971
N-(2-bromo-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 82757156
N-(2-bromo-5-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 82757244
N-(2-bromo-5-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300344
5-methyl-4-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]-1H-pyrazole-3-sulfonamide
CID 106064978
2,5-dibromo-N-(2-bromo-5-methylphenyl)-4-methylbenzenesulfonamide
CID 82746274

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The IUPAC name of N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide (CID 106076549) is N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is CNCc1c(S(=O)(=O)Nc2cc(C)ccc2Br)n[nH]c1C.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
The InChIKey is MEHVCSPUESYRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2S/c1-8-4-5-11(14)12(6-8)18-21(19,20)13-10(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-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide?
N-(2-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-(2-bromo-5-methylphenyl)-5-methyl-4-(methylaminomethyl)-1H-pyrazole-3-sulfonamide is sourced from PubChem (CID 106076549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).