N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide

C21H20N2O3S — CID 1095030

IUPACN-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C21H20N2O3S/c24-21(23-13-5-6-14-23)19-9-3-4-10-20(19)22-27(25,26)18-12-11-16-7-1-2-8-17(16)15-18/h1-4,7-12,15,22H,5-6,13-14H2
InChIKeyUJAARAMTWUIWMX-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.88
Rot. Bonds4

About N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide

N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 1095030) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
PubChem CID1095030
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1
InChIInChI=1S/C21H20N2O3S/c24-21(23-13-5-6-14-23)19-9-3-4-10-20(19)22-27(25,26)18-12-11-16-7-1-2-8-17(16)15-18/h1-4,7-12,15,22H,5-6,13-14H2
InChIKeyUJAARAMTWUIWMX-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-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 28633685
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
N-[2-(azetidine-1-carbonyl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 24658991
N-[3-[4-(cyclopropylmethyl)-1,4-diazepane-1-carbonyl]-2-methylphenyl]naphthalene-2-sulfonamide
CID 91604228
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
3-methyl-4-(2-oxopyrrolidin-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 38009918
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
N-[(2R)-butan-2-yl]-2-(naphthalen-2-ylsulfonylamino)benzamide
CID 1289488
1-ethyl-4-[[2-(pyrrolidine-1-carbonyl)phenyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 166192888

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide (CID 1095030) is N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1.
What is the InChIKey of N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is UJAARAMTWUIWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21(23-13-5-6-14-23)19-9-3-4-10-20(19)22-27(25,26)18-12-11-16-7-1-2-8-17(16)15-18/h1-4,7-12,15,22H,5-6,13-14H2.
What are the key properties of N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide?
N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide 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-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 1095030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).