N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide

C17H25ClN4O3S — CID 4628080

IUPACN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN4O3S/c1-2-20-10-12-21(13-11-20)17(23)19-16-4-3-9-22(16)26(24,25)15-7-5-14(18)6-8-15/h5-8,16H,2-4,9-13H2,1H3,(H,19,23)
InChIKeyGLZINICFUJEKJF-UHFFFAOYSA-N
MW400.93 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide

N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide (PubChem CID 4628080) has the molecular formula C17H25ClN4O3S and a molecular weight of 400.93 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide
PubChem CID4628080
Molecular FormulaC17H25ClN4O3S
Molecular Weight400.93 g/mol
Exact Mass400.13
IUPAC NameN-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H25ClN4O3S/c1-2-20-10-12-21(13-11-20)17(23)19-16-4-3-9-22(16)26(24,25)15-7-5-14(18)6-8-15/h5-8,16H,2-4,9-13H2,1H3,(H,19,23)
InChIKeyGLZINICFUJEKJF-UHFFFAOYSA-N
XLogP1.80
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 41024904
methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 2357927
(4-ethylpiperazin-1-yl)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]methanone
CID 2320019
1-(4-chlorophenyl)sulfonyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 43011395
(2S)-N-butyl-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 34230666
N-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]pyrrolidine-1-carboxamide
CID 1477706
1-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-N-methylmethanamine
CID 113285287
(2R)-2-(4-chlorophenyl)-1-(4-ethylphenyl)sulfonylpyrrolidine
CID 51856609
N-[(2S)-1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]morpholine-4-carboxamide
CID 51567796
4-ethyl-N-(1-methyl-2-oxopyrrolidin-3-yl)piperazine-1-carboxamide
CID 127345397
4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
2-(chloromethyl)-1-(4-chlorophenyl)sulfonylpyrrolidine
CID 63397694

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide (CID 4628080) is N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide is CCN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide?
The InChIKey is GLZINICFUJEKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O3S/c1-2-20-10-12-21(13-11-20)17(23)19-16-4-3-9-22(16)26(24,25)15-7-5-14(18)6-8-15/h5-8,16H,2-4,9-13H2,1H3,(H,19,23).
What are the key properties of N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide?
N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide has a molecular weight of 400.93 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-4-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 4628080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).