N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

C18H17N3O2S — CID 113016273

IUPACN-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cn2)c1
InChIInChI=1S/C18H17N3O2S/c1-14-6-5-7-15(12-14)20-18-11-10-16(13-19-18)21-24(22,23)17-8-3-2-4-9-17/h2-13,21H,1H3,(H,19,20)
InChIKeyNXYYMQOLDPSFMX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.93
Rot. Bonds5

About N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide

N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016273) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016273
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cn2)c1
InChIInChI=1S/C18H17N3O2S/c1-14-6-5-7-15(12-14)20-18-11-10-16(13-19-18)21-24(22,23)17-8-3-2-4-9-17/h2-13,21H,1H3,(H,19,20)
InChIKeyNXYYMQOLDPSFMX-UHFFFAOYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016275
3-chloro-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016313
2-methyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016312
2,4,6-trimethyl-N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016284
N-[6-(4-tert-butylanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113018175
N-[6-(3-methylanilino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113016293
N-[6-(2-ethoxyanilino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113019654
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032141
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
4-methyl-N-[6-(2-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016153
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016273) is N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1cccc(Nc2ccc(NS(=O)(=O)c3ccccc3)cn2)c1.
What is the InChIKey of N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is NXYYMQOLDPSFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-14-6-5-7-15(12-14)20-18-11-10-16(13-19-18)21-24(22,23)17-8-3-2-4-9-17/h2-13,21H,1H3,(H,19,20).
What are the key properties of N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide?
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).