N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide

C14H22N2O5S2 — CID 110352399

IUPACN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2C)cc1
InChIInChI=1S/C14H22N2O5S2/c1-3-10-22(17,18)15-13-4-6-14(7-5-13)23(19,20)16-8-9-21-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyMUUMYIBFLYYKMS-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.25
Rot. Bonds6

About N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide

N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide (PubChem CID 110352399) has the molecular formula C14H22N2O5S2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
PubChem CID110352399
Molecular FormulaC14H22N2O5S2
Molecular Weight362.47 g/mol
Exact Mass362.10
IUPAC NameN-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2C)cc1
InChIInChI=1S/C14H22N2O5S2/c1-3-10-22(17,18)15-13-4-6-14(7-5-13)23(19,20)16-8-9-21-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyMUUMYIBFLYYKMS-UHFFFAOYSA-N
XLogP1.25
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenyl)sulfonyl-3-methylmorpholine
CID 47171390
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]morpholine-4-carboxamide
CID 110352396
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
2-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43542002
N-butan-2-yl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343681
N-[4-(4-hydroxy-2-methylpiperidin-1-yl)sulfonylphenyl]butane-1-sulfonamide
CID 86819856
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]cyclohexanecarboxamide
CID 110352360
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
4-(3-methylmorpholin-4-yl)sulfonylbenzenecarbothioamide
CID 43542367
N-cyclopentyl-4-(3-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343683
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide (CID 110352399) is N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2C)cc1.
What is the InChIKey of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide?
The InChIKey is MUUMYIBFLYYKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S2/c1-3-10-22(17,18)15-13-4-6-14(7-5-13)23(19,20)16-8-9-21-11-12(16)2/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide?
N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide has a molecular weight of 362.47 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 110352399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).