N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide

C16H14ClN3O2S2 — CID 113018953

IUPACN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1Cl
InChIInChI=1S/C16H14ClN3O2S2/c1-11-4-5-12(9-14(11)17)19-15-7-6-13(10-18-15)20-24(21,22)16-3-2-8-23-16/h2-10,20H,1H3,(H,18,19)
InChIKeySTULEHGZBGXBSN-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.65
Rot. Bonds5

About N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide

N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide (PubChem CID 113018953) has the molecular formula C16H14ClN3O2S2 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
PubChem CID113018953
Molecular FormulaC16H14ClN3O2S2
Molecular Weight379.89 g/mol
Exact Mass379.02
IUPAC NameN-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1Cl
InChIInChI=1S/C16H14ClN3O2S2/c1-11-4-5-12(9-14(11)17)19-15-7-6-13(10-18-15)20-24(21,22)16-3-2-8-23-16/h2-10,20H,1H3,(H,18,19)
InChIKeySTULEHGZBGXBSN-UHFFFAOYSA-N
XLogP4.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(3-chloro-4-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019023
N-[6-(3,5-dimethylanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113017131
N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113020133
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019463
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[6-(3-fluoroanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113021347
N-[6-(methylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 115268517
N-[5-(2-chloro-4,6-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033745
N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113019944
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113018956
N-[5-(4-chloroanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113033430
N-[4-(3,4-dimethylanilino)phenyl]thiophene-2-sulfonamide
CID 112986376

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The IUPAC name of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide (CID 113018953) is N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3cccs3)cn2)cc1Cl.
What is the InChIKey of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
The InChIKey is STULEHGZBGXBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2S2/c1-11-4-5-12(9-14(11)17)19-15-7-6-13(10-18-15)20-24(21,22)16-3-2-8-23-16/h2-10,20H,1H3,(H,18,19).
What are the key properties of N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide?
N-[6-(3-chloro-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide has a molecular weight of 379.89 g/mol, XLogP of 4.65, 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-4-methylanilino)-3-pyridinyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113018953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).