N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C16H18N2O5S2 — CID 6469836

IUPACN-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C16H18N2O5S2/c19-24(20,15-6-2-1-3-7-15)17-14-5-4-8-16(13-14)25(21,22)18-9-11-23-12-10-18/h1-8,13,17H,9-12H2
InChIKeyBSSMLTJCENKLBN-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.51
Rot. Bonds5

About N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 6469836) has the molecular formula C16H18N2O5S2 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID6469836
Molecular FormulaC16H18N2O5S2
Molecular Weight382.46 g/mol
Exact Mass382.07
IUPAC NameN-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1
InChIInChI=1S/C16H18N2O5S2/c19-24(20,15-6-2-1-3-7-15)17-14-5-4-8-16(13-14)25(21,22)18-9-11-23-12-10-18/h1-8,13,17H,9-12H2
InChIKeyBSSMLTJCENKLBN-UHFFFAOYSA-N
XLogP1.51
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-morpholin-4-ylsulfonylphenyl)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

N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 22203318
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26952653
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
N-[3-(4-benzoylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 5295909
1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203328
N-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)benzenesulfonamide
CID 3881300
N-(2-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 167792664
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081837

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 6469836) is N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1.
What is the InChIKey of N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is BSSMLTJCENKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5S2/c19-24(20,15-6-2-1-3-7-15)17-14-5-4-8-16(13-14)25(21,22)18-9-11-23-12-10-18/h1-8,13,17H,9-12H2.
What are the key properties of N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 382.46 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 6469836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).