N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

C21H20ClN3O3S — CID 123756072

IUPACN-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20ClN3O3S/c22-17-10-8-15(9-11-17)14-24-21(26)18-6-3-13-25(18)29(27,28)19-7-1-4-16-5-2-12-23-20(16)19/h1-2,4-5,7-12,18H,3,6,13-14H2,(H,24,26)
InChIKeyNXVNNBVCCDEZAO-UHFFFAOYSA-N
MW429.93 g/mol
LogP3.36
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide

N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (PubChem CID 123756072) has the molecular formula C21H20ClN3O3S and a molecular weight of 429.93 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
PubChem CID123756072
Molecular FormulaC21H20ClN3O3S
Molecular Weight429.93 g/mol
Exact Mass429.09
IUPAC NameN-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C21H20ClN3O3S/c22-17-10-8-15(9-11-17)14-24-21(26)18-6-3-13-25(18)29(27,28)19-7-1-4-16-5-2-12-23-20(16)19/h1-2,4-5,7-12,18H,3,6,13-14H2,(H,24,26)
InChIKeyNXVNNBVCCDEZAO-UHFFFAOYSA-N
XLogP3.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.93
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(furan-2-ylmethyl)-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 51035281
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 42758180
(2S)-1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40634690
(2S)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxamide
CID 2311229
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 1468641
N-(4-chlorophenyl)-1-quinolin-8-ylsulfonylpiperidine-3-carboxamide
CID 20876129
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide
CID 46119625
1-quinolin-8-ylsulfonyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-2-carboxamide
CID 5309619
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)sulfonylpiperidine-2-carboxamide
CID 50762391
N-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-4-carboxamide
CID 50841322
3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
(2S)-3-[4-(dimethylcarbamoyloxy)phenyl]-2-[[(2S)-1-quinolin-8-ylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 22901114

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide (CID 123756072) is N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is O=C(NCc1ccc(Cl)cc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
The InChIKey is NXVNNBVCCDEZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O3S/c22-17-10-8-15(9-11-17)14-24-21(26)18-6-3-13-25(18)29(27,28)19-7-1-4-16-5-2-12-23-20(16)19/h1-2,4-5,7-12,18H,3,6,13-14H2,(H,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide?
N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide has a molecular weight of 429.93 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-quinolin-8-ylsulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 123756072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).