N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide

C13H15N3O4S3 — CID 113013654

IUPACN-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)C1
InChIInChI=1S/C13H15N3O4S3/c17-22(18)7-5-11(9-22)15-12-4-3-10(8-14-12)16-23(19,20)13-2-1-6-21-13/h1-4,6,8,11,16H,5,7,9H2,(H,14,15)
InChIKeyLRHPRUKQUXJMCE-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.54
Rot. Bonds5

About N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide

N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113013654) has the molecular formula C13H15N3O4S3 and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113013654
Molecular FormulaC13H15N3O4S3
Molecular Weight373.48 g/mol
Exact Mass373.02
IUPAC NameN-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide
SMILESO=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)C1
InChIInChI=1S/C13H15N3O4S3/c17-22(18)7-5-11(9-22)15-12-4-3-10(8-14-12)16-23(19,20)13-2-1-6-21-13/h1-4,6,8,11,16H,5,7,9H2,(H,14,15)
InChIKeyLRHPRUKQUXJMCE-UHFFFAOYSA-N
XLogP1.54
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]thiophene-2-sulfonamide
CID 113042976
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113013655
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113013605
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]thiophene-2-carboxamide
CID 113028610
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-4-methylbenzenesulfonamide
CID 113028667
N-[4-(cyclohexylamino)phenyl]thiophene-2-sulfonamide
CID 112980784
N-[6-(3-methylbutylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113015165
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-(1,1-dioxothiolan-3-yl)-5-methoxypyridin-2-amine
CID 106503952
1-[5-[(1,1-dioxothiolan-3-yl)amino]-2-pyridinyl]-3-phenylurea
CID 113028652
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide (CID 113013654) is N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide is O=S1(=O)CCC(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)C1.
What is the InChIKey of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is LRHPRUKQUXJMCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S3/c17-22(18)7-5-11(9-22)15-12-4-3-10(8-14-12)16-23(19,20)13-2-1-6-21-13/h1-4,6,8,11,16H,5,7,9H2,(H,14,15).
What are the key properties of N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 373.48 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1,1-dioxothiolan-3-yl)amino]-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113013654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).