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

C19H21ClN4O2S — CID 19355590

IUPAC4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide
SMILESCN(C)CCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H21ClN4O2S/c1-23(2)11-12-24-13-18(14-3-7-16(20)8-4-14)19(22-24)15-5-9-17(10-6-15)27(21,25)26/h3-10,13H,11-12H2,1-2H3,(H2,21,25,26)
InChIKeyCIIKEBZEPONCAB-UHFFFAOYSA-N
MW404.92 g/mol
LogP3.08
Rot. Bonds6

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

4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355590) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide
PubChem CID19355590
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC Name4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide
SMILESCN(C)CCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C19H21ClN4O2S/c1-23(2)11-12-24-13-18(14-3-7-16(20)8-4-14)19(22-24)15-5-9-17(10-6-15)27(21,25)26/h3-10,13H,11-12H2,1-2H3,(H2,21,25,26)
InChIKeyCIIKEBZEPONCAB-UHFFFAOYSA-N
XLogP3.08
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide (CID 19355590) is 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide is CN(C)CCn1cc(-c2ccc(Cl)cc2)c(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide?
The InChIKey is CIIKEBZEPONCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-23(2)11-12-24-13-18(14-3-7-16(20)8-4-14)19(22-24)15-5-9-17(10-6-15)27(21,25)26/h3-10,13H,11-12H2,1-2H3,(H2,21,25,26).
What are the key properties of 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide?
4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide has a molecular weight of 404.92 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).