N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide

C17H16ClN3O2S2 — CID 113018737

IUPACN-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3C)nc2)s1
InChIInChI=1S/C17H16ClN3O2S2/c1-11-6-9-17(24-11)25(22,23)21-13-7-8-16(19-10-13)20-15-5-3-4-14(18)12(15)2/h3-10,21H,1-2H3,(H,19,20)
InChIKeyLFEAFBXHWPWPDC-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.96
Rot. Bonds5

About N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide

N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide (PubChem CID 113018737) has the molecular formula C17H16ClN3O2S2 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
PubChem CID113018737
Molecular FormulaC17H16ClN3O2S2
Molecular Weight393.92 g/mol
Exact Mass393.04
IUPAC NameN-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3C)nc2)s1
InChIInChI=1S/C17H16ClN3O2S2/c1-11-6-9-17(24-11)25(22,23)21-13-7-8-16(19-10-13)20-15-5-3-4-14(18)12(15)2/h3-10,21H,1-2H3,(H,19,20)
InChIKeyLFEAFBXHWPWPDC-UHFFFAOYSA-N
XLogP4.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(2,3-dimethylanilino)-3-pyridinyl]-5-ethylthiophene-2-sulfonamide
CID 113017331
N-[6-(2-chloroanilino)pyridazin-3-yl]-5-methylthiophene-2-sulfonamide
CID 113047421
N-[6-(benzylamino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113011521
5-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113016834
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469
N-(3-chloro-2-methylsulfonylphenyl)-5-methylthiophene-2-sulfonamide
CID 75449103
5-chloro-N-[6-(2-cyanoanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113022728
N-[5-(3-fluoroanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113035942
N-[5-(2,5-dimethylanilino)-2-pyridinyl]-5-methylthiophene-2-sulfonamide
CID 113032078
N-[6-(2,3-dimethylanilino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113017322
N-[5-(3-chloro-2-methylanilino)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113033492
4-chloro-N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]benzamide
CID 113018706

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide (CID 113018737) is N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Nc3cccc(Cl)c3C)nc2)s1.
What is the InChIKey of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is LFEAFBXHWPWPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2S2/c1-11-6-9-17(24-11)25(22,23)21-13-7-8-16(19-10-13)20-15-5-3-4-14(18)12(15)2/h3-10,21H,1-2H3,(H,19,20).
What are the key properties of N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide?
N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 393.92 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-2-methylanilino)-3-pyridinyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 113018737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).