3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide

C17H18Cl2N2O3S — CID 55880070

IUPAC3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12-14(19)3-2-4-17(12)25(22,23)20-15-11-13(18)5-6-16(15)21-7-9-24-10-8-21/h2-6,11,20H,7-10H2,1H3
InChIKeyASDNIHUQTSFSTC-UHFFFAOYSA-N
MW401.32 g/mol
LogP3.94
Rot. Bonds4

About 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide

3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide (PubChem CID 55880070) has the molecular formula C17H18Cl2N2O3S and a molecular weight of 401.32 g/mol. Its IUPAC name is 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
PubChem CID55880070
Molecular FormulaC17H18Cl2N2O3S
Molecular Weight401.32 g/mol
Exact Mass400.04
IUPAC Name3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C17H18Cl2N2O3S/c1-12-14(19)3-2-4-17(12)25(22,23)20-15-11-13(18)5-6-16(15)21-7-9-24-10-8-21/h2-6,11,20H,7-10H2,1H3
InChIKeyASDNIHUQTSFSTC-UHFFFAOYSA-N
XLogP3.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide 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

3-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 4806611
5-amino-N-(2,5-dichlorophenyl)-2-morpholin-4-ylbenzenesulfonamide
CID 3870175
N-(5-chloro-2-morpholin-4-ylphenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 8823097
5-bromo-4-[(5-chloro-2-morpholin-4-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 39826976
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
3-[(5-chloro-2-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 46292427
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53024849
4-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-3-methylsulfonylbenzamide
CID 26207980
N-(5-chloro-2-morpholin-4-ylphenyl)formamide
CID 168653887
2-bromo-N-(1,3-dimethyl-6-morpholin-4-yl-2-oxobenzimidazol-5-yl)benzenesulfonamide
CID 50832787
3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)benzamide
CID 5096755

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide (CID 55880070) is 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is ASDNIHUQTSFSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O3S/c1-12-14(19)3-2-4-17(12)25(22,23)20-15-11-13(18)5-6-16(15)21-7-9-24-10-8-21/h2-6,11,20H,7-10H2,1H3.
What are the key properties of 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide?
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide has a molecular weight of 401.32 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 55880070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).