N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

C19H20N2O4S — CID 47946202

IUPACN-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H20N2O4S/c1-14(22)15-7-9-17(10-8-15)20-26(24,25)18-6-4-5-16(13-18)19(23)21-11-2-3-12-21/h4-10,13,20H,2-3,11-12H2,1H3
InChIKeyWZYXYBBATPZKDW-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.93
Rot. Bonds5

About N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 47946202) has the molecular formula C19H20N2O4S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID47946202
Molecular FormulaC19H20N2O4S
Molecular Weight372.45 g/mol
Exact Mass372.11
IUPAC NameN-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1
InChIInChI=1S/C19H20N2O4S/c1-14(22)15-7-9-17(10-8-15)20-26(24,25)18-6-4-5-16(13-18)19(23)21-11-2-3-12-21/h4-10,13,20H,2-3,11-12H2,1H3
InChIKeyWZYXYBBATPZKDW-UHFFFAOYSA-N
XLogP2.93
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946370
N-(4-methylphenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 2361079
3-(azocane-1-carbonyl)-N-(4-methylphenyl)benzenesulfonamide
CID 24982887
N-(4-tert-butylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946378
3-(azepane-1-carbonyl)-N-phenylbenzenesulfonamide
CID 56919558
N-(3-methylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 24981729
3-(azepane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 9314938
3-(azocane-1-carbonyl)-N-(4-ethoxyphenyl)benzenesulfonamide
CID 55370420
3-[4-(4-methylbenzoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55956075
methyl 3-[[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylamino]benzoate
CID 47946892
N-(3,4-difluorophenyl)-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063341
N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 47946202) is N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)N3CCCC3)c2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is WZYXYBBATPZKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4S/c1-14(22)15-7-9-17(10-8-15)20-26(24,25)18-6-4-5-16(13-18)19(23)21-11-2-3-12-21/h4-10,13,20H,2-3,11-12H2,1H3.
What are the key properties of N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 47946202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).