5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide

C14H14ClN3O3S2 — CID 110666773

IUPAC5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=C1NCCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClN3O3S2/c15-12-6-7-13(22-12)23(20,21)17-10-2-4-11(5-3-10)18-9-1-8-16-14(18)19/h2-7,17H,1,8-9H2,(H,16,19)
InChIKeyMTHICZJYLZWNOK-UHFFFAOYSA-N
MW371.87 g/mol
LogP3.12
Rot. Bonds4

About 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide

5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 110666773) has the molecular formula C14H14ClN3O3S2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID110666773
Molecular FormulaC14H14ClN3O3S2
Molecular Weight371.87 g/mol
Exact Mass371.02
IUPAC Name5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide
SMILESO=C1NCCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14ClN3O3S2/c15-12-6-7-13(22-12)23(20,21)17-10-2-4-11(5-3-10)18-9-1-8-16-14(18)19/h2-7,17H,1,8-9H2,(H,16,19)
InChIKeyMTHICZJYLZWNOK-UHFFFAOYSA-N
XLogP3.12
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.87
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide (CID 110666773) is 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide is O=C1NCCCN1c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1.
What is the InChIKey of 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is MTHICZJYLZWNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S2/c15-12-6-7-13(22-12)23(20,21)17-10-2-4-11(5-3-10)18-9-1-8-16-14(18)19/h2-7,17H,1,8-9H2,(H,16,19).
What are the key properties of 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide?
5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 371.87 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 110666773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).