2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide

C20H21N3O2S — CID 113016520

IUPAC2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C20H21N3O2S/c1-15-9-10-16(2)19(13-15)26(24,25)22-17-11-12-20(21-14-17)23(3)18-7-5-4-6-8-18/h4-14,22H,1-3H3
InChIKeyREHBALDDPAHRCW-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.27
Rot. Bonds5

About 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide

2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113016520) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113016520
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C20H21N3O2S/c1-15-9-10-16(2)19(13-15)26(24,25)22-17-11-12-20(21-14-17)23(3)18-7-5-4-6-8-18/h4-14,22H,1-3H3
InChIKeyREHBALDDPAHRCW-UHFFFAOYSA-N
XLogP4.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016532
5-bromo-N-[6-(dimethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 61216598
2,5-dimethyl-N-(4-phenylphenyl)benzenesulfonamide
CID 925055
2,5-dimethyl-N-[6-(1-phenylethylamino)-3-pyridinyl]benzenesulfonamide
CID 113011925
2-methoxy-5-methyl-N-[4-(N-methylanilino)phenyl]benzenesulfonamide
CID 112986146
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-[6-(N-methylanilino)-3-pyridinyl]-2-phenylethanesulfonamide
CID 113016544
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 42691246
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
2,5-dimethyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzenesulfonamide
CID 113027707
N-[6-(N-ethyl-3-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113023014
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide (CID 113016520) is 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(N(C)c3ccccc3)nc2)c1.
What is the InChIKey of 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is REHBALDDPAHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-9-10-16(2)19(13-15)26(24,25)22-17-11-12-20(21-14-17)23(3)18-7-5-4-6-8-18/h4-14,22H,1-3H3.
What are the key properties of 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide?
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113016520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).