2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide

C14H20N4O2S — CID 106048174

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCc1c(CNc2ccccc2S(=O)(=O)N(C)C)cnn1C
InChIInChI=1S/C14H20N4O2S/c1-11-12(10-16-18(11)4)9-15-13-7-5-6-8-14(13)21(19,20)17(2)3/h5-8,10,15H,9H2,1-4H3
InChIKeyOWGQRDSYCZPMBL-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.59
Rot. Bonds5

About 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (PubChem CID 106048174) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
PubChem CID106048174
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
SMILESCc1c(CNc2ccccc2S(=O)(=O)N(C)C)cnn1C
InChIInChI=1S/C14H20N4O2S/c1-11-12(10-16-18(11)4)9-15-13-7-5-6-8-14(13)21(19,20)17(2)3/h5-8,10,15H,9H2,1-4H3
InChIKeyOWGQRDSYCZPMBL-UHFFFAOYSA-N
XLogP1.59
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-amino-1-methylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79529330
2-[(5-amino-1H-pyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79530172
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-iodo-2-methylaniline
CID 113368513
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 79578369
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-3-nitroaniline
CID 79578283
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 79579422
N,N-dimethyl-2-[(5-methylthiophen-2-yl)methylamino]benzenesulfonamide
CID 62056766
N-[(1,5-dimethylpyrazol-4-yl)methyl]quinolin-4-amine
CID 103858286
N,N-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 61044463
N,N-dimethyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]benzenesulfonamide
CID 61014343
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 79233745
N,N-dimethyl-2-(pyridazin-3-ylmethylamino)benzenesulfonamide
CID 106896524

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide (CID 106048174) is 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is Cc1c(CNc2ccccc2S(=O)(=O)N(C)C)cnn1C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is OWGQRDSYCZPMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-12(10-16-18(11)4)9-15-13-7-5-6-8-14(13)21(19,20)17(2)3/h5-8,10,15H,9H2,1-4H3.
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide?
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 106048174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).