N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

C14H15ClN2O3S — CID 646091

IUPACN-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C
InChIInChI=1S/C14H15ClN2O3S/c1-9-10(2)13(6-5-12(9)20-3)21(18,19)17-14-7-4-11(15)8-16-14/h4-8H,1-3H3,(H,16,17)
InChIKeyXQRZKJKZAUAJHD-UHFFFAOYSA-N
MW326.81 g/mol
LogP3.16
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (PubChem CID 646091) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
PubChem CID646091
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C
InChIInChI=1S/C14H15ClN2O3S/c1-9-10(2)13(6-5-12(9)20-3)21(18,19)17-14-7-4-11(15)8-16-14/h4-8H,1-3H3,(H,16,17)
InChIKeyXQRZKJKZAUAJHD-UHFFFAOYSA-N
XLogP3.16
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-N-pyridin-2-ylnaphthalene-2-sulfonamide
CID 747350
4-Methoxy-2,3-dimethyl-N-pyridin-3-yl-benzenesulfonamide
CID 1088781
N-(4-ethyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 2812532
4-Methoxy-naphthalene-1-sulfonic acid (3-methyl-pyridin-2-yl)-amide
CID 2992209
N-(5-Chloro-pyridin-2-yl)-5-isopropyl-2-methoxy-benzenesulfonamide
CID 648225
N-(5-Chloro-pyridin-2-yl)-4-ethoxy-2,5-dimethyl-benzenesulfonamide
CID 653931
2-methoxy-5-propan-2-yl-N-(2-pyridinyl)benzenesulfonamide
CID 977116
4-ethoxy-N-(3-methylpyridin-2-yl)naphthalene-1-sulfonamide
CID 1073731
4-ethoxy-N-(4-methyl-2-pyridinyl)-1-naphthalenesulfonamide
CID 741447
N-(5-chloro-2-pyridinyl)-2-ethoxy-5-methylbenzenesulfonamide
CID 2301906
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 18284689
4-methoxy-N-(5-methylpyridin-2-yl)benzenesulfonamide
CID 669659

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide (CID 646091) is N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
The InChIKey is XQRZKJKZAUAJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-9-10(2)13(6-5-12(9)20-3)21(18,19)17-14-7-4-11(15)8-16-14/h4-8H,1-3H3,(H,16,17).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide has a molecular weight of 326.81 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-methoxy-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 646091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).