N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide

C14H16ClN3O2S — CID 103303101

IUPACN-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-3-16-13-5-4-8-17-14(13)21(19,20)18-11-7-6-10(2)12(15)9-11/h4-9,16,18H,3H2,1-2H3
InChIKeyVLOWOGLGHCTIFT-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.28
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide

N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 103303101) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID103303101
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C14H16ClN3O2S/c1-3-16-13-5-4-8-17-14(13)21(19,20)18-11-7-6-10(2)12(15)9-11/h4-9,16,18H,3H2,1-2H3
InChIKeyVLOWOGLGHCTIFT-UHFFFAOYSA-N
XLogP3.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300777
3-amino-N-(3-chloro-4-methylphenyl)pyridine-2-sulfonamide
CID 103303099
N-(3-cyanophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303922
N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 107630627
N-(4-bromo-3-chlorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 107616509
N-(5-bromo-4-methyl-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306497
N-(3-fluorophenyl)-3-(propylamino)pyridine-2-sulfonamide
CID 103303892
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472
N-(3-fluoro-4-methylphenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304040
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
CID 107642917

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide (CID 103303101) is N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is VLOWOGLGHCTIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-3-16-13-5-4-8-17-14(13)21(19,20)18-11-7-6-10(2)12(15)9-11/h4-9,16,18H,3H2,1-2H3.
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide?
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 325.82 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103303101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).