2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C19H23ClN2O3S — CID 75748883

IUPAC2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-15-5-4-6-16(13-15)18(22-9-11-25-12-10-22)14-21-26(23,24)19-8-3-2-7-17(19)20/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyCWWHVAGMYNJBQP-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.00
Rot. Bonds6

About 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 75748883) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID75748883
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC Name2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCc1cccc(C(CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)c1
InChIInChI=1S/C19H23ClN2O3S/c1-15-5-4-6-16(13-15)18(22-9-11-25-12-10-22)14-21-26(23,24)19-8-3-2-7-17(19)20/h2-8,13,18,21H,9-12,14H2,1H3
InChIKeyCWWHVAGMYNJBQP-UHFFFAOYSA-N
XLogP3.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 55682115
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 43064501
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
2-chloro-5-methylsulfonyl-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598948
4-acetyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55682159
3,5-dimethyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-1H-pyrazole-4-sulfonamide
CID 112506527
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
1-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 75748881
3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46457742
N-[[5-[[2-(3-methylphenyl)-2-morpholin-4-ylethyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 55681813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 75748883) is 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is Cc1cccc(C(CNS(=O)(=O)c2ccccc2Cl)N2CCOCC2)c1.
What is the InChIKey of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is CWWHVAGMYNJBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-15-5-4-6-16(13-15)18(22-9-11-25-12-10-22)14-21-26(23,24)19-8-3-2-7-17(19)20/h2-8,13,18,21H,9-12,14H2,1H3.
What are the key properties of 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 394.92 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 75748883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).