N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

C22H22N2O3S — CID 94042960

IUPACN-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H22N2O3S/c25-22(23-16-17-7-8-18-5-1-2-6-20(18)15-17)19-9-11-21(12-10-19)28(26,27)24-13-3-4-14-24/h1-2,5-12,15H,3-4,13-14,16H2,(H,23,25)
InChIKeyVJGUKOHYZUQIHB-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.55
Rot. Bonds5

About N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 94042960) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID94042960
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC NameN-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C22H22N2O3S/c25-22(23-16-17-7-8-18-5-1-2-6-20(18)15-17)19-9-11-21(12-10-19)28(26,27)24-13-3-4-14-24/h1-2,5-12,15H,3-4,13-14,16H2,(H,23,25)
InChIKeyVJGUKOHYZUQIHB-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
1-naphthalen-2-ylsulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 43874904
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-pyrrolidin-1-ylphenyl)methyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 35620277
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 16867447
3-morpholin-4-ylsulfonyl-N-(naphthalen-2-ylmethyl)benzamide
CID 94042950
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
N-[(3-methoxyphenyl)methyl]-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973692
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
N-[(2-chlorophenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2710119
3-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119735910

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 94042960) is N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is VJGUKOHYZUQIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22(23-16-17-7-8-18-5-1-2-6-20(18)15-17)19-9-11-21(12-10-19)28(26,27)24-13-3-4-14-24/h1-2,5-12,15H,3-4,13-14,16H2,(H,23,25).
What are the key properties of N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 94042960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).