N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide

C18H25N3O3S — CID 131948250

IUPACN,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C18H25N3O3S/c1-15-7-8-16(21-11-5-10-19-21)14-18(15)25(22,23)20(2)12-9-17-6-3-4-13-24-17/h5,7-8,10-11,14,17H,3-4,6,9,12-13H2,1-2H3
InChIKeyDHJYARGVTMTWHA-UHFFFAOYSA-N
MW363.48 g/mol
LogP2.76
Rot. Bonds6

About N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide

N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide (PubChem CID 131948250) has the molecular formula C18H25N3O3S and a molecular weight of 363.48 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide
PubChem CID131948250
Molecular FormulaC18H25N3O3S
Molecular Weight363.48 g/mol
Exact Mass363.16
IUPAC NameN,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide
SMILESCc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)CCC1CCCCO1
InChIInChI=1S/C18H25N3O3S/c1-15-7-8-16(21-11-5-10-19-21)14-18(15)25(22,23)20(2)12-9-17-6-3-4-13-24-17/h5,7-8,10-11,14,17H,3-4,6,9,12-13H2,1-2H3
InChIKeyDHJYARGVTMTWHA-UHFFFAOYSA-N
XLogP2.76
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide (CID 131948250) is N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide is Cc1ccc(-n2cccn2)cc1S(=O)(=O)N(C)CCC1CCCCO1.
What is the InChIKey of N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DHJYARGVTMTWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3S/c1-15-7-8-16(21-11-5-10-19-21)14-18(15)25(22,23)20(2)12-9-17-6-3-4-13-24-17/h5,7-8,10-11,14,17H,3-4,6,9,12-13H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide?
N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 363.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(oxan-2-yl)ethyl]-5-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 131948250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).