N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

C21H20N2O3S — CID 99599483

IUPACN-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O3S/c24-21-6-3-13-23(21)19-9-11-20(12-10-19)27(25,26)22-15-16-7-8-17-4-1-2-5-18(17)14-16/h1-2,4-5,7-12,14,22H,3,6,13,15H2
InChIKeySYHWXXHHRYWKIV-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.45
Rot. Bonds5

About N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide

N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 99599483) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID99599483
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H20N2O3S/c24-21-6-3-13-23(21)19-9-11-20(12-10-19)27(25,26)22-15-16-7-8-17-4-1-2-5-18(17)14-16/h1-2,4-5,7-12,14,22H,3,6,13,15H2
InChIKeySYHWXXHHRYWKIV-UHFFFAOYSA-N
XLogP3.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(naphthalen-1-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 95045248
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 26540045
4-nitro-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 39667571
N-[2-(4-aminophenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide;hydrochloride
CID 120715724
N-[2-(2-hydroxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 110605335
N-(2-methyl-3-phenylpropyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110356537
4-(2-oxopyrrolidin-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8823939
N-(1H-imidazol-2-ylmethyl)-4-(2-oxopiperidin-1-yl)benzenesulfonamide
CID 110725759
N-naphthalen-1-yl-4-[[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]benzenesulfonamide
CID 99955062
4-(2-methoxyethoxy)-3-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 55639292
N-[2-(4-methoxyphenoxy)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096887
4-(2-oxopyrrolidin-1-yl)-N-[(E)-4-phenylbut-3-enyl]benzenesulfonamide
CID 110667633

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 99599483) is N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCCN1c1ccc(S(=O)(=O)NCc2ccc3ccccc3c2)cc1.
What is the InChIKey of N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is SYHWXXHHRYWKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21-6-3-13-23(21)19-9-11-20(12-10-19)27(25,26)22-15-16-7-8-17-4-1-2-5-18(17)14-16/h1-2,4-5,7-12,14,22H,3,6,13,15H2.
What are the key properties of N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-(naphthalen-2-ylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.45, 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-(2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 99599483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).