N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide

C17H13Cl2N3O2S — CID 113036847

IUPACN-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c(Cl)cccc2Cl)cn1)c1ccccc1
InChIInChI=1S/C17H13Cl2N3O2S/c18-14-7-4-8-15(19)17(14)21-12-9-10-16(20-11-12)22-25(23,24)13-5-2-1-3-6-13/h1-11,21H,(H,20,22)
InChIKeyRTSBUWMZAKTARF-UHFFFAOYSA-N
MW394.28 g/mol
LogP4.93
Rot. Bonds5

About N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide

N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113036847) has the molecular formula C17H13Cl2N3O2S and a molecular weight of 394.28 g/mol. Its IUPAC name is N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
PubChem CID113036847
Molecular FormulaC17H13Cl2N3O2S
Molecular Weight394.28 g/mol
Exact Mass393.01
IUPAC NameN-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Nc2c(Cl)cccc2Cl)cn1)c1ccccc1
InChIInChI=1S/C17H13Cl2N3O2S/c18-14-7-4-8-15(19)17(14)21-12-9-10-16(20-11-12)22-25(23,24)13-5-2-1-3-6-13/h1-11,21H,(H,20,22)
InChIKeyRTSBUWMZAKTARF-UHFFFAOYSA-N
XLogP4.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.28
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]benzenesulfonamide
CID 113033802
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
N-[5-(cyclopropylamino)-2-pyridinyl]benzenesulfonamide
CID 113023765
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-[6-(3,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050774
N-[5-(3-phenylpropylamino)-2-pyridinyl]benzenesulfonamide
CID 113029860
N-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]benzenesulfonamide
CID 113025678
3-chloro-N-[5-(4-cyanoanilino)-2-pyridinyl]benzenesulfonamide
CID 113037344
N-[6-(2-chloroanilino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113018469

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide (CID 113036847) is N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Nc2c(Cl)cccc2Cl)cn1)c1ccccc1.
What is the InChIKey of N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is RTSBUWMZAKTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O2S/c18-14-7-4-8-15(19)17(14)21-12-9-10-16(20-11-12)22-25(23,24)13-5-2-1-3-6-13/h1-11,21H,(H,20,22).
What are the key properties of N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide?
N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 394.28 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,6-dichloroanilino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113036847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).