N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide

C17H23ClN4O2S — CID 46966777

IUPACN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C17H23ClN4O2S/c1-13-17(12-21(2)20-13)25(23,24)19-11-16(22-9-5-6-10-22)14-7-3-4-8-15(14)18/h3-4,7-8,12,16,19H,5-6,9-11H2,1-2H3
InChIKeyFVEDZSSSGKHURH-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.50
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide

N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide (PubChem CID 46966777) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
PubChem CID46966777
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC NameN-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)cc1S(=O)(=O)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C17H23ClN4O2S/c1-13-17(12-21(2)20-13)25(23,24)19-11-16(22-9-5-6-10-22)14-7-3-4-8-15(14)18/h3-4,7-8,12,16,19H,5-6,9-11H2,1-2H3
InChIKeyFVEDZSSSGKHURH-UHFFFAOYSA-N
XLogP2.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(azepan-1-yl)-2-phenylethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499811
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1,3-dimethylpyrazole-4-sulfonamide
CID 51499769
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
1,3-dimethyl-N-(2-methylpropyl)pyrazole-4-sulfonamide
CID 19681194
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
N-[(2R)-2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-phenoxybenzenesulfonamide
CID 45275234
4-chloro-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 55689576
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-sulfonamide
CID 112506471
2,4-dimethyl-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 8701696
1,3-dimethyl-N-phenylpyrazole-4-sulfonamide
CID 17377259

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide (CID 46966777) is N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide is Cc1nn(C)cc1S(=O)(=O)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
The InChIKey is FVEDZSSSGKHURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S/c1-13-17(12-21(2)20-13)25(23,24)19-11-16(22-9-5-6-10-22)14-7-3-4-8-15(14)18/h3-4,7-8,12,16,19H,5-6,9-11H2,1-2H3.
What are the key properties of N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide?
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide has a molecular weight of 382.92 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1,3-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 46966777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).