N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide

C19H19N3O2S — CID 113032141

IUPACN-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1C
InChIInChI=1S/C19H19N3O2S/c1-14-8-9-16(12-15(14)2)21-17-10-11-19(20-13-17)22-25(23,24)18-6-4-3-5-7-18/h3-13,21H,1-2H3,(H,20,22)
InChIKeyJDARGFGZHCYHKQ-UHFFFAOYSA-N
MW353.45 g/mol
LogP4.24
Rot. Bonds5

About N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide

N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide (PubChem CID 113032141) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
PubChem CID113032141
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1C
InChIInChI=1S/C19H19N3O2S/c1-14-8-9-16(12-15(14)2)21-17-10-11-19(20-13-17)22-25(23,24)18-6-4-3-5-7-18/h3-13,21H,1-2H3,(H,20,22)
InChIKeyJDARGFGZHCYHKQ-UHFFFAOYSA-N
XLogP4.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.24
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-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[3-[[6-(benzenesulfonamido)-3-pyridinyl]amino]phenyl]acetamide
CID 113035173
N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032152
N-[5-(3,4-dimethylanilino)-2-pyridinyl]ethanesulfonamide
CID 113032137
N-[5-(3,4-dimethylanilino)-2-pyridinyl]-2-phenylethanesulfonamide
CID 113032157
N-[5-(4-propan-2-ylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032795
N-[5-(4-ethylanilino)-2-pyridinyl]benzenesulfonamide
CID 113032527
5-chloro-N-[5-(3,4-dimethylanilino)-2-pyridinyl]thiophene-2-sulfonamide
CID 113032155
N-(5-anilino-2-pyridinyl)-4-tert-butylbenzenesulfonamide
CID 113031285
N-(5-anilino-2-pyridinyl)-3,4-dimethoxybenzenesulfonamide
CID 113031264
N-[6-(3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016273

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide (CID 113032141) is N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide is Cc1ccc(Nc2ccc(NS(=O)(=O)c3ccccc3)nc2)cc1C.
What is the InChIKey of N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide?
The InChIKey is JDARGFGZHCYHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-14-8-9-16(12-15(14)2)21-17-10-11-19(20-13-17)22-25(23,24)18-6-4-3-5-7-18/h3-13,21H,1-2H3,(H,20,22).
What are the key properties of N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide?
N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide has a molecular weight of 353.45 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethylanilino)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113032141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).