1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine

C14H14ClNO2S — CID 621330

IUPAC1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc2cccc(Cl)c12)N1CCCC1
InChIInChI=1S/C14H14ClNO2S/c15-12-7-3-5-11-6-4-8-13(14(11)12)19(17,18)16-9-1-2-10-16/h3-8H,1-2,9-10H2
InChIKeySOBHBGAYEDVFJW-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.28
Rot. Bonds2

About 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine

1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine (PubChem CID 621330) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine
PubChem CID621330
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1cccc2cccc(Cl)c12)N1CCCC1
InChIInChI=1S/C14H14ClNO2S/c15-12-7-3-5-11-6-4-8-13(14(11)12)19(17,18)16-9-1-2-10-16/h3-8H,1-2,9-10H2
InChIKeySOBHBGAYEDVFJW-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-Aminohexyl)-5-Chloro-1-Naphthalenesulfonamide
CID 5681
1H-1,4-Diazepine, 1-((5-chloro-1-naphthalenyl)sulfonyl)hexahydro-, monohydrochloride
CID 108047
W-7 Hydrochloride
CID 124887
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
CID 9861903
ML-9 free base
CID 4217
N-(4-Aminobutyl)-5-chloro-2-naphthalenesulfonamide
CID 4299
1-(4-Chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 671594
1-(4-Chloronaphthalen-1-yl)sulfonylpyrrolidine
CID 1085519
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide
CID 1960
N-(n-Heptyl)-5-chloro-1-naphthalenesulfonamide
CID 5175
N-(4-aminobutyl)-5-chloronaphthalene-1-sulfonamide
CID 5680
N-(10-aminodecyl)-5-chloronaphthalene-1-sulfonamide
CID 2735313

Frequently Asked Questions

What is the IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine (CID 621330) is 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine is O=S(=O)(c1cccc2cccc(Cl)c12)N1CCCC1.
What is the InChIKey of 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine?
The InChIKey is SOBHBGAYEDVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-12-7-3-5-11-6-4-8-13(14(11)12)19(17,18)16-9-1-2-10-16/h3-8H,1-2,9-10H2.
What are the key properties of 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine?
1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine has a molecular weight of 295.79 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-chloronaphthalen-1-yl)sulfonylpyrrolidine is sourced from PubChem (CID 621330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).