N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

C23H22N2O3S — CID 4534840

IUPACN-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22N2O3S/c26-23(18-8-11-19(12-9-18)29(27,28)25-14-1-2-15-25)24-21-13-10-17-7-6-16-4-3-5-20(21)22(16)17/h3-5,8-13H,1-2,6-7,14-15H2,(H,24,26)
InChIKeyLARSPWVLJZAYKV-UHFFFAOYSA-N
MW406.51 g/mol
LogP3.98
Rot. Bonds4

About N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide

N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 4534840) has the molecular formula C23H22N2O3S and a molecular weight of 406.51 g/mol. Its IUPAC name is N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID4534840
Molecular FormulaC23H22N2O3S
Molecular Weight406.51 g/mol
Exact Mass406.14
IUPAC NameN-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C23H22N2O3S/c26-23(18-8-11-19(12-9-18)29(27,28)25-14-1-2-15-25)24-21-13-10-17-7-6-16-4-3-5-20(21)22(16)17/h3-5,8-13H,1-2,6-7,14-15H2,(H,24,26)
InChIKeyLARSPWVLJZAYKV-UHFFFAOYSA-N
XLogP3.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dihydroacenaphthylen-5-ylamino)-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24562475
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
4-(azepan-1-ylsulfonyl)-N-(3-chloro-2-methylphenyl)benzamide
CID 1428600
N-isoquinolin-5-yl-4-piperidin-1-ylsulfonylbenzamide
CID 8763187
1-N,4-N-bis[4-(azepan-1-ylsulfonyl)phenyl]benzene-1,4-dicarboxamide
CID 5167539
N-(1,2-dihydroacenaphthylen-5-yl)naphthalene-2-carboxamide
CID 5070082
N-[2-(azepan-1-yl)phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 22831307
N-(2-piperidin-1-ylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 7550938
N-(2,4-difluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 1355774
N-(2-chloro-4-fluorophenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4810789
4-pyrrolidin-1-ylsulfonyl-N-quinolin-8-ylbenzamide
CID 26123612

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide (CID 4534840) is N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LARSPWVLJZAYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3S/c26-23(18-8-11-19(12-9-18)29(27,28)25-14-1-2-15-25)24-21-13-10-17-7-6-16-4-3-5-20(21)22(16)17/h3-5,8-13H,1-2,6-7,14-15H2,(H,24,26).
What are the key properties of N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide?
N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroacenaphthylen-5-yl)-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 4534840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).