4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid

C15H15ClN2O4S — CID 54489815

IUPAC4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C15H15ClN2O4S/c16-13-3-1-12-10-14(4-2-11(12)9-13)23(21,22)18-7-5-17(6-8-18)15(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyXUXRWJOQPJJWTH-UHFFFAOYSA-N
MW354.82 g/mol
LogP2.48
Rot. Bonds2

About 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid

4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid (PubChem CID 54489815) has the molecular formula C15H15ClN2O4S and a molecular weight of 354.82 g/mol. Its IUPAC name is 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
PubChem CID54489815
Molecular FormulaC15H15ClN2O4S
Molecular Weight354.82 g/mol
Exact Mass354.04
IUPAC Name4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
SMILESO=C(O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C15H15ClN2O4S/c16-13-3-1-12-10-14(4-2-11(12)9-13)23(21,22)18-7-5-17(6-8-18)15(19)20/h1-4,9-10H,5-8H2,(H,19,20)
InChIKeyXUXRWJOQPJJWTH-UHFFFAOYSA-N
XLogP2.48
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
(5-chloro-2-hydroxyphenyl)-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methanone
CID 18105471
4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboximidamide
CID 22628232
tert-butyl N-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]carbamate
CID 22727220
2-(4-chlorophenyl)sulfanyl-1-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)ethanone
CID 2632052
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-([1,3]thiazolo[5,4-c]pyridin-2-yl)methanone
CID 22709892
4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboximidamide;hydrochloride
CID 22627950
1-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]-1-sulfanylurea
CID 57259824
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763
N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]benzenecarboximidoyl]acetamide
CID 149151874
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;hydrochloride
CID 22711019
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4-pyridin-2-ylphenyl)methanone;hydrochloride
CID 22709607

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid?
The IUPAC name of 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid (CID 54489815) is 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid.
What is the SMILES notation for 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid?
The canonical SMILES for 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid is O=C(O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid?
The InChIKey is XUXRWJOQPJJWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4S/c16-13-3-1-12-10-14(4-2-11(12)9-13)23(21,22)18-7-5-17(6-8-18)15(19)20/h1-4,9-10H,5-8H2,(H,19,20).
What are the key properties of 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid?
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid has a molecular weight of 354.82 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid is sourced from PubChem (CID 54489815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).