N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide

C22H22N2O3S — CID 4081261

IUPACN-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22N2O3S/c25-22(23-20-11-8-17-6-2-3-7-19(17)16-20)18-9-12-21(13-10-18)28(26,27)24-14-4-1-5-15-24/h2-3,6-13,16H,1,4-5,14-15H2,(H,23,25)
InChIKeyQNZDLCJGCICHCB-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.27
Rot. Bonds4

About N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide

N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 4081261) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
PubChem CID4081261
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C22H22N2O3S/c25-22(23-20-11-8-17-6-2-3-7-19(17)16-20)18-9-12-21(13-10-18)28(26,27)24-14-4-1-5-15-24/h2-3,6-13,16H,1,4-5,14-15H2,(H,23,25)
InChIKeyQNZDLCJGCICHCB-UHFFFAOYSA-N
XLogP4.27
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-naphthalen-2-ylbenzamide
CID 43919632
4-(2-methylpiperidin-1-yl)sulfonyl-N-naphthalen-2-ylbenzamide
CID 3267062
4-(azepan-1-ylsulfonyl)-N-(3-chlorophenyl)benzamide
CID 2665161
4-(azepan-1-ylsulfonyl)-N-(3-fluorophenyl)benzamide
CID 2665307
4-(azepan-1-ylsulfonyl)-N-(3-methylphenyl)benzamide
CID 71904572

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide (CID 4081261) is N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is QNZDLCJGCICHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22(23-20-11-8-17-6-2-3-7-19(17)16-20)18-9-12-21(13-10-18)28(26,27)24-14-4-1-5-15-24/h2-3,6-13,16H,1,4-5,14-15H2,(H,23,25).
What are the key properties of N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide?
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4081261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).