4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

C12H17ClN4O3S — CID 25252188

IUPAC4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCOCCN1CN=C(NS(=O)(=O)c2ccc(Cl)cc2)NC1
InChIInChI=1S/C12H17ClN4O3S/c1-20-7-6-17-8-14-12(15-9-17)16-21(18,19)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyKIEJOGZGILLORU-UHFFFAOYSA-N
MW332.81 g/mol
LogP0.44
Rot. Bonds5

About 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide

4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (PubChem CID 25252188) has the molecular formula C12H17ClN4O3S and a molecular weight of 332.81 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
PubChem CID25252188
Molecular FormulaC12H17ClN4O3S
Molecular Weight332.81 g/mol
Exact Mass332.07
IUPAC Name4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
SMILESCOCCN1CN=C(NS(=O)(=O)c2ccc(Cl)cc2)NC1
InChIInChI=1S/C12H17ClN4O3S/c1-20-7-6-17-8-14-12(15-9-17)16-21(18,19)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,15,16)
InChIKeyKIEJOGZGILLORU-UHFFFAOYSA-N
XLogP0.44
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide (CID 25252188) is 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is COCCN1CN=C(NS(=O)(=O)c2ccc(Cl)cc2)NC1.
What is the InChIKey of 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
The InChIKey is KIEJOGZGILLORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O3S/c1-20-7-6-17-8-14-12(15-9-17)16-21(18,19)11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3,(H2,14,15,16).
What are the key properties of 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide?
4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide has a molecular weight of 332.81 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-methoxyethyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide is sourced from PubChem (CID 25252188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).