3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide

C19H16ClN3O5S2 — CID 54118113

IUPAC3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c1
InChIInChI=1S/C19H16ClN3O5S2/c20-12-3-1-10-8-17(29-16(10)9-12)30(27,28)22-13-5-6-23(19(13)26)14-7-11(18(21)25)2-4-15(14)24/h1-4,7-9,13,22,24H,5-6H2,(H2,21,25)/t13-/m0/s1
InChIKeyNLTMMWXKQSZSDS-ZDUSSCGKSA-N
MW465.94 g/mol
LogP2.44
Rot. Bonds5

About 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide

3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide (PubChem CID 54118113) has the molecular formula C19H16ClN3O5S2 and a molecular weight of 465.94 g/mol. Its IUPAC name is 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide
PubChem CID54118113
Molecular FormulaC19H16ClN3O5S2
Molecular Weight465.94 g/mol
Exact Mass465.02
IUPAC Name3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide
SMILESNC(=O)c1ccc(O)c(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c1
InChIInChI=1S/C19H16ClN3O5S2/c20-12-3-1-10-8-17(29-16(10)9-12)30(27,28)22-13-5-6-23(19(13)26)14-7-11(18(21)25)2-4-15(14)24/h1-4,7-9,13,22,24H,5-6H2,(H2,21,25)/t13-/m0/s1
InChIKeyNLTMMWXKQSZSDS-ZDUSSCGKSA-N
XLogP2.44
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide?
The IUPAC name of 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide (CID 54118113) is 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide.
What is the SMILES notation for 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide?
The canonical SMILES for 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide is NC(=O)c1ccc(O)c(N2CC[C@H](NS(=O)(=O)c3cc4ccc(Cl)cc4s3)C2=O)c1.
What is the InChIKey of 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide?
The InChIKey is NLTMMWXKQSZSDS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H16ClN3O5S2/c20-12-3-1-10-8-17(29-16(10)9-12)30(27,28)22-13-5-6-23(19(13)26)14-7-11(18(21)25)2-4-15(14)24/h1-4,7-9,13,22,24H,5-6H2,(H2,21,25)/t13-/m0/s1.
What are the key properties of 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide?
3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide has a molecular weight of 465.94 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-[(6-chloro-1-benzothiophen-2-yl)sulfonylamino]-2-oxopyrrolidin-1-yl]-4-hydroxybenzamide is sourced from PubChem (CID 54118113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).