N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

C16H16N4O2S — CID 56777957

IUPACN-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c1
InChIInChI=1S/C16H16N4O2S/c1-12-3-4-13(2)15(9-12)23(21,22)19-14-5-6-16(18-10-14)20-8-7-17-11-20/h3-11,19H,1-2H3
InChIKeyZFOVVTNQDPVYKS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.68
Rot. Bonds4

About N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 56777957) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
PubChem CID56777957
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c1
InChIInChI=1S/C16H16N4O2S/c1-12-3-4-13(2)15(9-12)23(21,22)19-14-5-6-16(18-10-14)20-8-7-17-11-20/h3-11,19H,1-2H3
InChIKeyZFOVVTNQDPVYKS-UHFFFAOYSA-N
XLogP2.68
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]benzenesulfonamide
CID 113010183
N-(6-imidazol-1-yl-3-pyridinyl)ethanesulfonamide
CID 64592738
N-(6-imidazol-1-yl-3-pyridinyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71801231
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
5-tert-butyl-2-methyl-N-(6-pyrazol-1-yl-3-pyridinyl)benzenesulfonamide
CID 30868177
6-imidazol-1-yl-N-propylpyridin-3-amine
CID 43710767
N-(6-imidazol-1-yl-3-pyridinyl)butane-1-sulfonamide
CID 90608258
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 103744880
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 122311965
N-tert-butyl-6-imidazol-1-ylpyridin-3-amine
CID 167253831
2,5-dimethyl-N-[6-(N-methylanilino)-3-pyridinyl]benzenesulfonamide
CID 113016520
N-[6-(butan-2-ylamino)-3-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113009793

Frequently Asked Questions

What is the IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (CID 56777957) is N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c1.
What is the InChIKey of N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is ZFOVVTNQDPVYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-12-3-4-13(2)15(9-12)23(21,22)19-14-5-6-16(18-10-14)20-8-7-17-11-20/h3-11,19H,1-2H3.
What are the key properties of N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 328.40 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-imidazol-1-yl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 56777957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).