1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide

C23H21ClN2O3S — CID 16828076

IUPAC1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O3S/c24-17-9-11-18(12-10-17)30(28,29)26-14-2-5-21(26)23(27)25-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13,21H,2,5-7,14H2,(H,25,27)
InChIKeyMQFRNQJJBMRWQQ-UHFFFAOYSA-N
MW440.95 g/mol
LogP4.38
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide

1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide (PubChem CID 16828076) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
PubChem CID16828076
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H21ClN2O3S/c24-17-9-11-18(12-10-17)30(28,29)26-14-2-5-21(26)23(27)25-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13,21H,2,5-7,14H2,(H,25,27)
InChIKeyMQFRNQJJBMRWQQ-UHFFFAOYSA-N
XLogP4.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 25303484
(2R)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide
CID 25303482
(2S)-N-(1,2-dihydroacenaphthylen-5-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 7614835
(2R)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide
CID 1143211
1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 16925163
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 8779936
(2R)-N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 8795140
(2S)-1-(4-chlorophenyl)sulfonyl-N-(2,3-dihydro-1H-inden-5-yl)pyrrolidine-2-carboxamide
CID 11924079
1-(4-chlorophenyl)sulfonyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 84834429
(2S)-1-(benzenesulfonyl)-N-naphthalen-1-ylpyrrolidine-2-carboxamide
CID 992693
1-(4-chlorophenyl)sulfonyl-N-(2-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 132667301
1-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-2-carboxamide
CID 50762317

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide (CID 16828076) is 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide is O=C(Nc1ccc2c3c(cccc13)CC2)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is MQFRNQJJBMRWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c24-17-9-11-18(12-10-17)30(28,29)26-14-2-5-21(26)23(27)25-20-13-8-16-7-6-15-3-1-4-19(20)22(15)16/h1,3-4,8-13,21H,2,5-7,14H2,(H,25,27).
What are the key properties of 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide?
1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 440.95 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-N-(1,2-dihydroacenaphthylen-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 16828076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).