1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide

C11H11ClN6O3S — CID 168718656

IUPAC1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Cl)ccc2-c2nn[nH]n2)C1
InChIInChI=1S/C11H11ClN6O3S/c12-6-1-2-8(11-14-16-17-15-11)9(3-6)18-5-7(4-10(18)19)22(13,20)21/h1-3,7H,4-5H2,(H2,13,20,21)(H,14,15,16,17)
InChIKeyKAGZRRCNMJRZAF-UHFFFAOYSA-N
MW342.77 g/mol
LogP-0.09
Rot. Bonds3

About 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide

1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168718656) has the molecular formula C11H11ClN6O3S and a molecular weight of 342.77 g/mol. Its IUPAC name is 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168718656
Molecular FormulaC11H11ClN6O3S
Molecular Weight342.77 g/mol
Exact Mass342.03
IUPAC Name1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CC(=O)N(c2cc(Cl)ccc2-c2nn[nH]n2)C1
InChIInChI=1S/C11H11ClN6O3S/c12-6-1-2-8(11-14-16-17-15-11)9(3-6)18-5-7(4-10(18)19)22(13,20)21/h1-3,7H,4-5H2,(H2,13,20,21)(H,14,15,16,17)
InChIKeyKAGZRRCNMJRZAF-UHFFFAOYSA-N
XLogP-0.09
TPSA134.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.77
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
CID 168505415
1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717427
methyl 4-chloro-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzoate
CID 168717278
1-(2-chloro-4-iodophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718951
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
[1-(5-chloro-2-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682417
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
1-(6-chloro-2-methyl-3-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717778
1-(4,6-dichloropyrimidin-2-yl)-5-oxopyrrolidine-3-sulfonamide
CID 168719537
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282
1-(5-bromo-2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718689
1-(4-bromo-2-chloro-5-fluorophenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168718503

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide (CID 168718656) is 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide is NS(=O)(=O)C1CC(=O)N(c2cc(Cl)ccc2-c2nn[nH]n2)C1.
What is the InChIKey of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is KAGZRRCNMJRZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN6O3S/c12-6-1-2-8(11-14-16-17-15-11)9(3-6)18-5-7(4-10(18)19)22(13,20)21/h1-3,7H,4-5H2,(H2,13,20,21)(H,14,15,16,17).
What are the key properties of 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide?
1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 342.77 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2H-tetrazol-5-yl)phenyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168718656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).