tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate

C26H34ClN3O5S — CID 22627937

IUPACtert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1
InChIInChI=1S/C26H34ClN3O5S/c1-26(2,3)35-25(32)28-22-9-5-18(6-10-22)24(31)29-12-14-30(15-13-29)36(33,34)23-11-7-19-16-21(27)8-4-20(19)17-23/h4,7-8,11,16-18,22H,5-6,9-10,12-15H2,1-3H3,(H,28,32)
InChIKeyADZGNLNGDDPKGV-UHFFFAOYSA-N
MW536.09 g/mol
LogP4.41
Rot. Bonds4

About tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate

tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate (PubChem CID 22627937) has the molecular formula C26H34ClN3O5S and a molecular weight of 536.09 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate
PubChem CID22627937
Molecular FormulaC26H34ClN3O5S
Molecular Weight536.09 g/mol
Exact Mass535.19
IUPAC Nametert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1
InChIInChI=1S/C26H34ClN3O5S/c1-26(2,3)35-25(32)28-22-9-5-18(6-10-22)24(31)29-12-14-30(15-13-29)36(33,34)23-11-7-19-16-21(27)8-4-20(19)17-23/h4,7-8,11,16-18,22H,5-6,9-10,12-15H2,1-3H3,(H,28,32)
InChIKeyADZGNLNGDDPKGV-UHFFFAOYSA-N
XLogP4.41
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.09
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl 2-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]amino]acetate
CID 22627941
tert-butyl 4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylate
CID 18761390
tert-butyl N-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]carbamate
CID 22727220
tert-butyl N-[[6-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamate
CID 22710865
tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]-N-(1H-imidazol-2-yl)carbamate
CID 70277569
4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexane-1-carboximidamide
CID 22628232
tert-butyl N-[1-[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]piperidin-4-yl]carbamate
CID 55868607
tert-butyl N-[[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]carbamate
CID 22710552
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-methylpropan-2-yl)oxy]-4-(oxomethylidene)imidazolidin-2-ylidene]amino]cyclohexyl]methanone
CID 176527041
tert-butyl N-[(3S)-1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]carbamate
CID 129375288
4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboximidamide;hydrochloride
CID 22627950

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate (CID 22627937) is tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC2)CC1.
What is the InChIKey of tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate?
The InChIKey is ADZGNLNGDDPKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O5S/c1-26(2,3)35-25(32)28-22-9-5-18(6-10-22)24(31)29-12-14-30(15-13-29)36(33,34)23-11-7-19-16-21(27)8-4-20(19)17-23/h4,7-8,11,16-18,22H,5-6,9-10,12-15H2,1-3H3,(H,28,32).
What are the key properties of tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate?
tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate has a molecular weight of 536.09 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]cyclohexyl]carbamate is sourced from PubChem (CID 22627937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).