1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine

C19H18ClN3O2S — CID 68550970

IUPAC1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-17-8-4-10-21-19(17)22-11-13-23(14-12-22)26(24,25)18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2
InChIKeyPHOCOCPGVYXRJT-UHFFFAOYSA-N
MW387.89 g/mol
LogP3.40
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine

1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine (PubChem CID 68550970) has the molecular formula C19H18ClN3O2S and a molecular weight of 387.89 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
PubChem CID68550970
Molecular FormulaC19H18ClN3O2S
Molecular Weight387.89 g/mol
Exact Mass387.08
IUPAC Name1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
SMILESO=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C19H18ClN3O2S/c20-17-8-4-10-21-19(17)22-11-13-23(14-12-22)26(24,25)18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2
InChIKeyPHOCOCPGVYXRJT-UHFFFAOYSA-N
XLogP3.40
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.89
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-(3-methyl-2-pyridinyl)piperazine
CID 68555914
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
CID 155549386
1-(2,3-dichlorophenyl)sulfonyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 6735011
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
7-[(4-naphthalen-1-ylsulfonylpiperazin-1-yl)methyl]quinolin-8-ol
CID 46837185
1-(2-chlorophenyl)sulfonyl-4-(naphthalen-1-ylmethyl)piperazine
CID 9184964
8-piperidin-1-ylsulfonylquinoline
CID 768759
5-(4-methylpiperazin-1-yl)sulfonylquinoline
CID 115599575
1-(8-chloronaphthalen-1-yl)sulfonyl-4-phenylpiperazine
CID 3836350
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine (CID 68550970) is 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine is O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine?
The InChIKey is PHOCOCPGVYXRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2S/c20-17-8-4-10-21-19(17)22-11-13-23(14-12-22)26(24,25)18-9-3-6-15-5-1-2-7-16(15)18/h1-10H,11-14H2.
What are the key properties of 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine?
1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine has a molecular weight of 387.89 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine is sourced from PubChem (CID 68550970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).