2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide

C11H15ClN2O5S2 — CID 90672911

IUPAC2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O5S2/c1-8-7-19-5-4-14(8)21(17,18)9-2-3-11(10(12)6-9)20(13,15)16/h2-3,6,8H,4-5,7H2,1H3,(H2,13,15,16)
InChIKeyWSIVMCNNEMLUCO-UHFFFAOYSA-N
MW354.84 g/mol
LogP0.40
Rot. Bonds3

About 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide

2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide (PubChem CID 90672911) has the molecular formula C11H15ClN2O5S2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide
PubChem CID90672911
Molecular FormulaC11H15ClN2O5S2
Molecular Weight354.84 g/mol
Exact Mass354.01
IUPAC Name2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide
SMILESCC1COCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H15ClN2O5S2/c1-8-7-19-5-4-14(8)21(17,18)9-2-3-11(10(12)6-9)20(13,15)16/h2-3,6,8H,4-5,7H2,1H3,(H2,13,15,16)
InChIKeyWSIVMCNNEMLUCO-UHFFFAOYSA-N
XLogP0.40
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide?
The IUPAC name of 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide (CID 90672911) is 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide?
The canonical SMILES for 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide is CC1COCCN1S(=O)(=O)c1ccc(S(N)(=O)=O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide?
The InChIKey is WSIVMCNNEMLUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O5S2/c1-8-7-19-5-4-14(8)21(17,18)9-2-3-11(10(12)6-9)20(13,15)16/h2-3,6,8H,4-5,7H2,1H3,(H2,13,15,16).
What are the key properties of 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide?
2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide has a molecular weight of 354.84 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-methylmorpholin-4-yl)sulfonylbenzenesulfonamide is sourced from PubChem (CID 90672911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).