N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide

C14H14ClN3O3S — CID 902084

IUPACN-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccnc1Nc1cccc(Cl)c1C
InChIInChI=1S/C14H14ClN3O3S/c1-9-11(15)5-3-6-12(9)17-14-13(7-4-8-16-14)22(20,21)18-10(2)19/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyCSYDNAQXSHTNGP-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.61
Rot. Bonds4

About N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide

N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide (PubChem CID 902084) has the molecular formula C14H14ClN3O3S and a molecular weight of 339.80 g/mol. Its IUPAC name is N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide
PubChem CID902084
Molecular FormulaC14H14ClN3O3S
Molecular Weight339.80 g/mol
Exact Mass339.04
IUPAC NameN-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cccnc1Nc1cccc(Cl)c1C
InChIInChI=1S/C14H14ClN3O3S/c1-9-11(15)5-3-6-12(9)17-14-13(7-4-8-16-14)22(20,21)18-10(2)19/h3-8H,1-2H3,(H,16,17)(H,18,19)
InChIKeyCSYDNAQXSHTNGP-UHFFFAOYSA-N
XLogP2.61
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide?
The IUPAC name of N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide (CID 902084) is N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide.
What is the SMILES notation for N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide?
The canonical SMILES for N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1cccnc1Nc1cccc(Cl)c1C.
What is the InChIKey of N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide?
The InChIKey is CSYDNAQXSHTNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3S/c1-9-11(15)5-3-6-12(9)17-14-13(7-4-8-16-14)22(20,21)18-10(2)19/h3-8H,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide?
N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide has a molecular weight of 339.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-chloro-2-methylanilino)-3-pyridinyl]sulfonyl]acetamide is sourced from PubChem (CID 902084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).