4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

C16H17N3O3S — CID 3888077

IUPAC4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1
InChIInChI=1S/C16H17N3O3S/c20-16-9-14(11-18-16)13-1-3-15(4-2-13)23(21,22)19-10-12-5-7-17-8-6-12/h1-8,14,19H,9-11H2,(H,18,20)
InChIKeyPQXSODISIFCUTF-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.16
Rot. Bonds5

About 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide

4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 3888077) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID3888077
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1
InChIInChI=1S/C16H17N3O3S/c20-16-9-14(11-18-16)13-1-3-15(4-2-13)23(21,22)19-10-12-5-7-17-8-6-12/h1-8,14,19H,9-11H2,(H,18,20)
InChIKeyPQXSODISIFCUTF-UHFFFAOYSA-N
XLogP1.16
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Sulfonamidopyrrolidinone 3e
CID 10671210
Sulfonamidopyrrolidinone 3f
CID 10765919
3-[(4-cyclopropylphenyl)sulfonylamino]-4-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 139390983
4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylamino)-octanoic acid
CID 10432964
N-(3-pyridyl)[3-(pyrrolidinylsulfonyl)phenyl]carboxamide
CID 711634
4-(4-{[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]sulfamoyl}phenyl)-1-methylpyridin-1-ium
CID 10555769
Sulfonamide deriv., 7i
CID 44520905
4-pyridyl-N-[2-(4-sulfamoylphenyl)ethyl]carboxamide
CID 2108328
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-2-ylmethyl)propanamide
CID 2228455
2-(Benzenesulfonyl-ethyl-amino)-N-pyridin-4-ylmethyl-acetamide
CID 2991744
3-[4-(ethylsulfamoyl)phenyl]-N-(pyridin-3-ylmethyl)propanamide
CID 3161025
N-(2-{4-[(3-pyridinylamino)sulfonyl]phenyl}ethyl)acetamide
CID 269224

Frequently Asked Questions

What is the IUPAC name of 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 3888077) is 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is O=C1CC(c2ccc(S(=O)(=O)NCc3ccncc3)cc2)CN1.
What is the InChIKey of 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is PQXSODISIFCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c20-16-9-14(11-18-16)13-1-3-15(4-2-13)23(21,22)19-10-12-5-7-17-8-6-12/h1-8,14,19H,9-11H2,(H,18,20).
What are the key properties of 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide?
4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-oxopyrrolidin-3-yl)-N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3888077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).