3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide

C18H22N2O3S — CID 91650297

IUPAC3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-4-2-7-18(12-15)24(21,22)19-17-6-3-5-16(13-17)14-20-8-10-23-11-9-20/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyZPPINNQRVSKNAH-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.63
Rot. Bonds5

About 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide

3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide (PubChem CID 91650297) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
PubChem CID91650297
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)c1
InChIInChI=1S/C18H22N2O3S/c1-15-4-2-7-18(12-15)24(21,22)19-17-6-3-5-16(13-17)14-20-8-10-23-11-9-20/h2-7,12-13,19H,8-11,14H2,1H3
InChIKeyZPPINNQRVSKNAH-UHFFFAOYSA-N
XLogP2.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 46968756
3-methyl-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzenesulfonamide
CID 112981487
4-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]benzenesulfonamide
CID 169370271
N-[3-(morpholin-4-ylmethyl)phenyl]thiophene-2-sulfonamide
CID 51698921
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762
3-(morpholin-4-ylmethyl)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 28631315
3-methyl-N-[3-(1-propylazetidin-3-yl)phenyl]benzenesulfonamide
CID 24877807
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-3-(morpholin-4-ylmethyl)benzamide
CID 92683706
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-(phenylsulfamoyl)benzamide
CID 55814511
3-methyl-N-(3-piperidin-1-ylphenyl)benzenesulfonamide
CID 110362158
3-chloro-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 55815977

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide (CID 91650297) is 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(CN3CCOCC3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
The InChIKey is ZPPINNQRVSKNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-15-4-2-7-18(12-15)24(21,22)19-17-6-3-5-16(13-17)14-20-8-10-23-11-9-20/h2-7,12-13,19H,8-11,14H2,1H3.
What are the key properties of 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide?
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 91650297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).