4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

C23H22N2O4S — CID 28633685

IUPAC4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C23H22N2O4S/c26-23(25-16-6-7-17-25)21-10-4-5-11-22(21)24-30(27,28)20-14-12-19(13-15-20)29-18-8-2-1-3-9-18/h1-5,8-15,24H,6-7,16-17H2
InChIKeyLQEHLWKCLLCMIF-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.52
Rot. Bonds6

About 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide

4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 28633685) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID28633685
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Name4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCCC1
InChIInChI=1S/C23H22N2O4S/c26-23(25-16-6-7-17-25)21-10-4-5-11-22(21)24-30(27,28)20-14-12-19(13-15-20)29-18-8-2-1-3-9-18/h1-5,8-15,24H,6-7,16-17H2
InChIKeyLQEHLWKCLLCMIF-UHFFFAOYSA-N
XLogP4.52
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(pyrrolidine-1-carbonyl)phenyl]naphthalene-2-sulfonamide
CID 1095030
2-[(4-phenoxyphenyl)sulfonylamino]benzamide
CID 46763886
N-[2-(azepane-1-carbonyl)phenyl]-6-methoxynaphthalene-2-sulfonamide
CID 100525119
N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
2-[(4-methylphenyl)sulfonylamino]-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 3976213
ethyl 4-[2-[(4-methoxyphenyl)sulfonylamino]benzoyl]piperazine-1-carboxylate
CID 17311460
N-[2-(piperidine-1-carbonyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17492426
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
4-chloro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzenesulfonamide
CID 2989258
2-(benzenesulfonamido)-N-(4-phenoxyphenyl)benzamide
CID 3900171
2-(N-methylsulfonyl-4-phenoxyanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 126035382

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide (CID 28633685) is 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)N1CCCC1.
What is the InChIKey of 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is LQEHLWKCLLCMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c26-23(25-16-6-7-17-25)21-10-4-5-11-22(21)24-30(27,28)20-14-12-19(13-15-20)29-18-8-2-1-3-9-18/h1-5,8-15,24H,6-7,16-17H2.
What are the key properties of 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide?
4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 422.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 28633685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).