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

C21H20N2O3S — CID 2315784

IUPACN-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H20N2O3S/c24-21(22-19-10-7-16-5-1-2-6-18(16)15-19)17-8-11-20(12-9-17)27(25,26)23-13-3-4-14-23/h1-2,5-12,15H,3-4,13-14H2,(H,22,24)
InChIKeyUYANCRGKJLNSRW-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.88
Rot. Bonds4

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

N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2315784) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2315784
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H20N2O3S/c24-21(22-19-10-7-16-5-1-2-6-18(16)15-19)17-8-11-20(12-9-17)27(25,26)23-13-3-4-14-23/h1-2,5-12,15H,3-4,13-14H2,(H,22,24)
InChIKeyUYANCRGKJLNSRW-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
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-[4-[4-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]phenyl]phenyl]benzamide
CID 3537523
4-(azepan-1-ylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
N-(3-aminophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 28867144
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
3-[(4-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1332672
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
1-naphthalen-2-ylsulfonylpyrrolidine
CID 819722

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide (CID 2315784) is N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2ccccc2c1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is UYANCRGKJLNSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21(22-19-10-7-16-5-1-2-6-18(16)15-19)17-8-11-20(12-9-17)27(25,26)23-13-3-4-14-23/h1-2,5-12,15H,3-4,13-14H2,(H,22,24).
What are the key properties of N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide?
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 380.47 g/mol, XLogP of 3.88, 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-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2315784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).