N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

C11H12ClN3O2S2 — CID 106086556

IUPACN-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncccc2Cl)cs1
InChIInChI=1S/C11H12ClN3O2S2/c1-13-6-8-5-9(7-18-8)19(16,17)15-11-10(12)3-2-4-14-11/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyIYSPVCRHZDCDFQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP2.32
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide

N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (PubChem CID 106086556) has the molecular formula C11H12ClN3O2S2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
PubChem CID106086556
Molecular FormulaC11H12ClN3O2S2
Molecular Weight317.82 g/mol
Exact Mass317.01
IUPAC NameN-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)Nc2ncccc2Cl)cs1
InChIInChI=1S/C11H12ClN3O2S2/c1-13-6-8-5-9(7-18-8)19(16,17)15-11-10(12)3-2-4-14-11/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyIYSPVCRHZDCDFQ-UHFFFAOYSA-N
XLogP2.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106076088
N-(4-bromo-2-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106030519
N-(3-chloro-2-pyridinyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106086657
N-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106070895
N-(3-chloro-2-pyridinyl)-5-fluoro-2-(methylaminomethyl)benzenesulfonamide
CID 106086586
4-chloro-N-(3-chloro-2-pyridinyl)benzenesulfonamide
CID 103886271
N-(4-iodophenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106029596
N-(2-ethylphenyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 107531552
N-(3-chloro-2-pyridinyl)-2-(methylamino)ethanesulfonamide
CID 103094659
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
N-(3-bromo-4-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106075947
N-(3-bromo-2-pyridinyl)-4-chloro-3-(methylaminomethyl)benzenesulfonamide
CID 106062122

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide (CID 106086556) is N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is CNCc1cc(S(=O)(=O)Nc2ncccc2Cl)cs1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
The InChIKey is IYSPVCRHZDCDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2S2/c1-13-6-8-5-9(7-18-8)19(16,17)15-11-10(12)3-2-4-14-11/h2-5,7,13H,6H2,1H3,(H,14,15).
What are the key properties of N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide?
N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide has a molecular weight of 317.82 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-5-(methylaminomethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106086556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).