N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide

C24H22Cl2N4O4S2 — CID 139044924

IUPACN-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/2C12H11ClN2O2S/c2*1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2*2-8H,1H3,(H,14,15)
InChIKeyPEXWOHYHBUAOQO-UHFFFAOYSA-N
MW565.50 g/mol
LogP5.69
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 139044924) has the molecular formula C24H22Cl2N4O4S2 and a molecular weight of 565.50 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID139044924
Molecular FormulaC24H22Cl2N4O4S2
Molecular Weight565.50 g/mol
Exact Mass564.05
IUPAC NameN-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1
InChIInChI=1S/2C12H11ClN2O2S/c2*1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2*2-8H,1H3,(H,14,15)
InChIKeyPEXWOHYHBUAOQO-UHFFFAOYSA-N
XLogP5.69
TPSA118.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.50
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Chloro-7-(4-methylpiperazin-1-ylsulfonyl)isoquinolin-1-YL)guanidine
CID 16658355
Arylsulfonylpiperazine, 25
CID 44237028
4-Methyl-N-pyridin-2-YL-benzenesulfonamide
CID 402911
N-[5-(6-amino-3-pyridinyl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 87570781
N-(5-chloropyridin-2-yl)benzenesulfonamide
CID 555746
N-(5-chloropyridin-2-yl)-4-methylbenzenesulfonamide
CID 812019
N1-(2-pyridyl)-2-chloro-4-(trifluoromethyl)benzene-1-sulfonamide
CID 2739437
N-[4-[6-amino-5-(4-chlorophenyl)-3-pyridinyl]phenyl]sulfonylacetamide
CID 162662860
N-(5-chloropyridin-2-yl)-3,4-dimethylbenzenesulfonamide
CID 839492
N-(5-chloropyridin-2-yl)-4-ethylbenzenesulfonamide
CID 689341
N-(5-chloropyridin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 798643
6-chloro-N-(4-methylpyridin-2-yl)pyridine-3-sulfonamide
CID 3678077

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide (CID 139044924) is N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)cc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is PEXWOHYHBUAOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11ClN2O2S/c2*1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2*2-8H,1H3,(H,14,15).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 565.50 g/mol, XLogP of 5.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 139044924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).