N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

C19H21FN4O2S — CID 67645996

IUPACN-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCN(C)CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H21FN4O2S/c1-23(2)12-13-24-14-18(15-8-10-16(20)11-9-15)19(21-24)22-27(25,26)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyHPJFUGRWAXVDDW-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.05
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide

N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 67645996) has the molecular formula C19H21FN4O2S and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID67645996
Molecular FormulaC19H21FN4O2S
Molecular Weight388.47 g/mol
Exact Mass388.14
IUPAC NameN-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCN(C)CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C19H21FN4O2S/c1-23(2)12-13-24-14-18(15-8-10-16(20)11-9-15)19(21-24)22-27(25,26)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,22)
InChIKeyHPJFUGRWAXVDDW-UHFFFAOYSA-N
XLogP3.05
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide (CID 67645996) is N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is CN(C)CCn1cc(-c2ccc(F)cc2)c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is HPJFUGRWAXVDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S/c1-23(2)12-13-24-14-18(15-8-10-16(20)11-9-15)19(21-24)22-27(25,26)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,21,22).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide?
N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 388.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 67645996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).