N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide

C14H20N4O2S — CID 106105462

IUPACN,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCc2ccn(C)n2)cc1
InChIInChI=1S/C14H20N4O2S/c1-17(2)21(19,20)14-6-4-12(5-7-14)15-10-8-13-9-11-18(3)16-13/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyRZPSGOKFRHZJFG-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.33
Rot. Bonds6

About N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide

N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (PubChem CID 106105462) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
PubChem CID106105462
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(NCCc2ccn(C)n2)cc1
InChIInChI=1S/C14H20N4O2S/c1-17(2)21(19,20)14-6-4-12(5-7-14)15-10-8-13-9-11-18(3)16-13/h4-7,9,11,15H,8,10H2,1-3H3
InChIKeyRZPSGOKFRHZJFG-UHFFFAOYSA-N
XLogP1.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide (CID 106105462) is N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(NCCc2ccn(C)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
The InChIKey is RZPSGOKFRHZJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-17(2)21(19,20)14-6-4-12(5-7-14)15-10-8-13-9-11-18(3)16-13/h4-7,9,11,15H,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide?
N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106105462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).