2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide

C18H22N2O3S — CID 110637491

IUPAC2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-5-3-4-6-18(14)24(21,22)19-16-7-9-17(10-8-16)20-11-12-23-13-15(20)2/h3-10,15,19H,11-13H2,1-2H3
InChIKeyKFGADICJQFFNRZ-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.02
Rot. Bonds4

About 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide

2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide (PubChem CID 110637491) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
PubChem CID110637491
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2C)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-5-3-4-6-18(14)24(21,22)19-16-7-9-17(10-8-16)20-11-12-23-13-15(20)2/h3-10,15,19H,11-13H2,1-2H3
InChIKeyKFGADICJQFFNRZ-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637498
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
2-chloro-N-[4-(3-methylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 110352678
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]-2-methylbenzenesulfonamide
CID 110352354
2-methyl-N-[4-(2-oxo-1,3-diazinan-1-yl)phenyl]benzenesulfonamide
CID 110666784
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
2-fluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 7938967
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 110362709
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide (CID 110637491) is 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCOCC2C)cc1.
What is the InChIKey of 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
The InChIKey is KFGADICJQFFNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-5-3-4-6-18(14)24(21,22)19-16-7-9-17(10-8-16)20-11-12-23-13-15(20)2/h3-10,15,19H,11-13H2,1-2H3.
What are the key properties of 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide?
2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 110637491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).