3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide

C19H18ClN5O3S2 — CID 22883547

IUPAC3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1
InChIInChI=1S/C19H18ClN5O3S2/c20-17-13-9-16(29-15(13)4-6-23-17)30(27,28)24-14-5-7-25(19(14)26)10-11-2-1-3-12(8-11)18(21)22/h1-4,6,8-9,14,24H,5,7,10H2,(H3,21,22)/t14-/m0/s1
InChIKeyFUPVQKDKIXJWIU-AWEZNQCLSA-N
MW463.97 g/mol
LogP2.31
Rot. Bonds6

About 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide

3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide (PubChem CID 22883547) has the molecular formula C19H18ClN5O3S2 and a molecular weight of 463.97 g/mol. Its IUPAC name is 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
PubChem CID22883547
Molecular FormulaC19H18ClN5O3S2
Molecular Weight463.97 g/mol
Exact Mass463.05
IUPAC Name3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1
InChIInChI=1S/C19H18ClN5O3S2/c20-17-13-9-16(29-15(13)4-6-23-17)30(27,28)24-14-5-7-25(19(14)26)10-11-2-1-3-12(8-11)18(21)22/h1-4,6,8-9,14,24H,5,7,10H2,(H3,21,22)/t14-/m0/s1
InChIKeyFUPVQKDKIXJWIU-AWEZNQCLSA-N
XLogP2.31
TPSA129.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Sulfonamidopyrrolidinone 3j
CID 10503954
Sulfonamidopyrrolidinone 3k
CID 10527751
4-fluoro-3-[((3S)-2-oxo-3-{[(5-pyridin-3-ylthien-2-yl)sulfonyl]amino}pyrrolidin-1-yl)methyl]benzenecarboximidamide
CID 10552445
Sulfonamidopyrrolidinone 4c
CID 10624206
Sulfonamidopyrrolidinone 3l
CID 10837478
2-[6-[(3S)-3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 52949410
2-[6-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]benzenesulfonamide
CID 44446385
2-[6-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-N-methylbenzenesulfonamide
CID 44446386
2-[6-[3-[[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonylamino]-2-oxopyrrolidin-1-yl]-3-pyridinyl]-N,N-dimethylbenzenesulfonamide
CID 44446388
6-chloro-N-((1-(1-(pyridin-4-yl)piperidine-4-carbonyl)pyrrolidin-3-yl)methyl)benzo[b]thiophene-2-sulfonamide
CID 11329826
3-[(S)-3-(5-Chloro-thieno[3,2-b]pyridine-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
CID 22883564
3-[(S)-3-(6-Chloro-thieno[2,3-b]pyridine-2-sulfonylamino)-2-oxo-pyrrolidin-1-ylmethyl]-benzamidine
CID 22883573

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide (CID 22883547) is 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1.
What is the InChIKey of 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
The InChIKey is FUPVQKDKIXJWIU-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18ClN5O3S2/c20-17-13-9-16(29-15(13)4-6-23-17)30(27,28)24-14-5-7-25(19(14)26)10-11-2-1-3-12(8-11)18(21)22/h1-4,6,8-9,14,24H,5,7,10H2,(H3,21,22)/t14-/m0/s1.
What are the key properties of 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide?
3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide has a molecular weight of 463.97 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-[(4-chlorothieno[3,2-c]pyridin-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 22883547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).