N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide

C12H14ClN3O2S2 — CID 106049745

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCCc2ccc(Cl)s2)ccn1
InChIInChI=1S/C12H14ClN3O2S2/c1-14-12-8-10(5-6-15-12)20(17,18)16-7-4-9-2-3-11(13)19-9/h2-3,5-6,8,16H,4,7H2,1H3,(H,14,15)
InChIKeyDTTLMZCIGFUOLN-UHFFFAOYSA-N
MW331.85 g/mol
LogP2.36
Rot. Bonds6

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide (PubChem CID 106049745) has the molecular formula C12H14ClN3O2S2 and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
PubChem CID106049745
Molecular FormulaC12H14ClN3O2S2
Molecular Weight331.85 g/mol
Exact Mass331.02
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide
SMILESCNc1cc(S(=O)(=O)NCCc2ccc(Cl)s2)ccn1
InChIInChI=1S/C12H14ClN3O2S2/c1-14-12-8-10(5-6-15-12)20(17,18)16-7-4-9-2-3-11(13)19-9/h2-3,5-6,8,16H,4,7H2,1H3,(H,14,15)
InChIKeyDTTLMZCIGFUOLN-UHFFFAOYSA-N
XLogP2.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049
N-[(4-chlorophenyl)methyl]-2-(methylamino)pyridine-4-sulfonamide
CID 62164890
N-[2-[[2-(methylamino)-4-pyridinyl]sulfonylamino]ethyl]acetamide
CID 62145904
4-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-methoxybenzenesulfonamide
CID 106034908
3-[[2-(methylamino)-4-pyridinyl]sulfonylamino]-N-propylpropanamide
CID 62152220
N-methyl-2-(methylamino)pyridine-4-sulfonamide
CID 62148302
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-2,5-dimethylbenzenesulfonamide
CID 106034900
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
5-(aminomethyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]furan-2-sulfonamide
CID 106050572
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106095186
5-bromo-N-[2-(5-chlorothiophen-2-yl)ethyl]thiophene-2-sulfonamide
CID 113225799

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide (CID 106049745) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide is CNc1cc(S(=O)(=O)NCCc2ccc(Cl)s2)ccn1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide?
The InChIKey is DTTLMZCIGFUOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2S2/c1-14-12-8-10(5-6-15-12)20(17,18)16-7-4-9-2-3-11(13)19-9/h2-3,5-6,8,16H,4,7H2,1H3,(H,14,15).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide has a molecular weight of 331.85 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)pyridine-4-sulfonamide is sourced from PubChem (CID 106049745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).