tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate

C19H23ClN2O4S — CID 18761390

IUPACtert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C19H23ClN2O4S/c1-19(2,3)26-18(23)21-8-10-22(11-9-21)27(24,25)17-7-5-14-12-16(20)6-4-15(14)13-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyCDLPHFUPNOKOCX-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.73
Rot. Bonds2

About tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate

tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate (PubChem CID 18761390) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
PubChem CID18761390
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Nametert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1
InChIInChI=1S/C19H23ClN2O4S/c1-19(2,3)26-18(23)21-8-10-22(11-9-21)27(24,25)17-7-5-14-12-16(20)6-4-15(14)13-17/h4-7,12-13H,8-11H2,1-3H3
InChIKeyCDLPHFUPNOKOCX-UHFFFAOYSA-N
XLogP3.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-chlorophenyl)sulfonylpiperazine-1-carboxylate
CID 2796253
tert-butyl N-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]carbamate
CID 22727220
tert-butyl 4-[6-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]pyridazin-3-yl]-1,4-diazepane-1-carboxylate
CID 21072671
tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate
CID 22627937
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
tert-butyl 4-(1H-indol-6-ylsulfonyl)piperazine-1-carboxylate
CID 69231502
tert-butyl 2-[(E)-3-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxylate
CID 22709440
tert-butyl 2-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]amino]acetate
CID 22627941
tert-butyl N-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate
CID 22710552
tert-butyl 4-[(6-chloro-3-pyridinyl)sulfonyl]piperazine-1-carboxylate
CID 11739940
2-tert-butyl-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]sulfonylindole-1-carboxylic acid
CID 69415540
tert-butyl 2-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]-5-pyridin-4-ylbenzoate
CID 18628935

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate (CID 18761390) is tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1.
What is the InChIKey of tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
The InChIKey is CDLPHFUPNOKOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-19(2,3)26-18(23)21-8-10-22(11-9-21)27(24,25)17-7-5-14-12-16(20)6-4-15(14)13-17/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate?
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate has a molecular weight of 410.92 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate is sourced from PubChem (CID 18761390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).