N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

C20H24N2O3S — CID 109059185

IUPACN-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)16-5-9-18(10-6-16)21-26(24,25)19-11-7-17(8-12-19)20(23)22-13-3-4-14-22/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyVTSJIRDFSWGSGR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.85
Rot. Bonds5

About N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide

N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (PubChem CID 109059185) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
PubChem CID109059185
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC NameN-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
SMILESCC(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1
InChIInChI=1S/C20H24N2O3S/c1-15(2)16-5-9-18(10-6-16)21-26(24,25)19-11-7-17(8-12-19)20(23)22-13-3-4-14-22/h5-12,15,21H,3-4,13-14H2,1-2H3
InChIKeyVTSJIRDFSWGSGR-UHFFFAOYSA-N
XLogP3.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 967693
4-[(4-propan-2-ylphenyl)sulfonylamino]benzoic acid
CID 7574220
4-(pyrrolidine-1-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 109059218
N-[4-(piperidine-1-carbonyl)phenyl]-4-propylbenzenesulfonamide
CID 22203693
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
4-[[4-(4-methylpiperazine-1-carbonyl)phenyl]sulfamoyl]benzoic acid
CID 108782929
4-cyclohexyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
CID 24656637
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
N-(1-propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 119055427
N-(4-methylphenyl)-4-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)benzenesulfonamide
CID 30832859
1,2-dimethyl-N-(4-propan-2-ylphenyl)-5-(pyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068635
N-(3-chloro-4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109059198

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide (CID 109059185) is N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is CC(C)c1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
The InChIKey is VTSJIRDFSWGSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-15(2)16-5-9-18(10-6-16)21-26(24,25)19-11-7-17(8-12-19)20(23)22-13-3-4-14-22/h5-12,15,21H,3-4,13-14H2,1-2H3.
What are the key properties of N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide?
N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide has a molecular weight of 372.49 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 109059185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).