1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine

C14H14ClNO2S — CID 1085519

IUPAC1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)c2ccccc12)N1CCCC1
InChIInChI=1S/C14H14ClNO2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)19(17,18)16-9-3-4-10-16/h1-2,5-8H,3-4,9-10H2
InChIKeyFPFZRYPVIPRVLO-UHFFFAOYSA-N
MW295.79 g/mol
LogP3.28
Rot. Bonds2

About 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine

1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine (PubChem CID 1085519) has the molecular formula C14H14ClNO2S and a molecular weight of 295.79 g/mol. Its IUPAC name is 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine
PubChem CID1085519
Molecular FormulaC14H14ClNO2S
Molecular Weight295.79 g/mol
Exact Mass295.04
IUPAC Name1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine
SMILESO=S(=O)(c1ccc(Cl)c2ccccc12)N1CCCC1
InChIInChI=1S/C14H14ClNO2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)19(17,18)16-9-3-4-10-16/h1-2,5-8H,3-4,9-10H2
InChIKeyFPFZRYPVIPRVLO-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
N-(2-Aminoethyl)-5-chloronaphthalene-1-sulfonamide hydrochloride
CID 9861903
1-[(8-Chloro-1-naphthyl)sulfonyl]pyrrolidine
CID 621330
1-(4-Chloronaphthalen-1-yl)sulfonyl-4-methylpiperazine
CID 671594
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
N-(4-aminobutyl)-5-chloro-1-naphthalenesulfonamide hydrochloride
CID 9884715
4-Chloronaphthalene-1-sulfonamide
CID 222874
N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide
CID 6993606
N-(5-aminopentyl)-5-chloronaphthalene-1-sulfonamide
CID 4304

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine?
The IUPAC name of 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine (CID 1085519) is 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine?
The canonical SMILES for 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine is O=S(=O)(c1ccc(Cl)c2ccccc12)N1CCCC1.
What is the InChIKey of 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine?
The InChIKey is FPFZRYPVIPRVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2S/c15-13-7-8-14(12-6-2-1-5-11(12)13)19(17,18)16-9-3-4-10-16/h1-2,5-8H,3-4,9-10H2.
What are the key properties of 1-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine?
1-(4-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-(4-chloronaphthalen-1-yl)sulfonylpyrrolidine is sourced from PubChem (CID 1085519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).