4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide

C13H18N4O2S — CID 28614875

IUPAC4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N4O2S/c1-9-13(10(2)17(3)16-9)8-15-11-4-6-12(7-5-11)20(14,18)19/h4-7,15H,8H2,1-3H3,(H2,14,18,19)
InChIKeyMUTJEUOHSTYPFK-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.30
Rot. Bonds4

About 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide (PubChem CID 28614875) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
PubChem CID28614875
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC Name4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide
SMILESCc1nn(C)c(C)c1CNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H18N4O2S/c1-9-13(10(2)17(3)16-9)8-15-11-4-6-12(7-5-11)20(14,18)19/h4-7,15H,8H2,1-3H3,(H2,14,18,19)
InChIKeyMUTJEUOHSTYPFK-UHFFFAOYSA-N
XLogP1.30
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207
1-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]butan-1-one
CID 68722977
N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylsulfamoyl]phenyl]acetamide
CID 22209486
4-(difluoromethylsulfonyl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]aniline
CID 56815183
N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41358567
2-N,2-N-dimethyl-5-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2,5-diamine
CID 43690392
3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 43717912
N-(4-sulfamoylphenyl)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxamide
CID 41446314
1,3-dimethyl-N-(4-sulfamoylphenyl)pyrazole-4-sulfonamide
CID 22774819
4-(3-methoxypropylsulfanyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]aniline
CID 84591237
methyl 2-chloro-5-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzoate
CID 43672647

Frequently Asked Questions

What is the IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide?
The IUPAC name of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide (CID 28614875) is 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide.
What is the SMILES notation for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide?
The canonical SMILES for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide is Cc1nn(C)c(C)c1CNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide?
The InChIKey is MUTJEUOHSTYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-9-13(10(2)17(3)16-9)8-15-11-4-6-12(7-5-11)20(14,18)19/h4-7,15H,8H2,1-3H3,(H2,14,18,19).
What are the key properties of 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide?
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide has a molecular weight of 294.38 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzenesulfonamide is sourced from PubChem (CID 28614875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).