4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

C22H29N3O5S2 — CID 4969706

IUPAC4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O5S2/c1-18-5-7-19(8-6-18)31(26,27)23-21-17-20(32(28,29)25-11-3-2-4-12-25)9-10-22(21)24-13-15-30-16-14-24/h5-10,17,23H,2-4,11-16H2,1H3
InChIKeyMLUNEDVTYQTLNG-UHFFFAOYSA-N
MW479.62 g/mol
LogP2.81
Rot. Bonds6

About 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide

4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 4969706) has the molecular formula C22H29N3O5S2 and a molecular weight of 479.62 g/mol. Its IUPAC name is 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
PubChem CID4969706
Molecular FormulaC22H29N3O5S2
Molecular Weight479.62 g/mol
Exact Mass479.15
IUPAC Name4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1
InChIInChI=1S/C22H29N3O5S2/c1-18-5-7-19(8-6-18)31(26,27)23-21-17-20(32(28,29)25-11-3-2-4-12-25)9-10-22(21)24-13-15-30-16-14-24/h5-10,17,23H,2-4,11-16H2,1H3
InChIKeyMLUNEDVTYQTLNG-UHFFFAOYSA-N
XLogP2.81
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.62
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-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

2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
4-methyl-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 736064
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
2-benzylsulfanyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]acetamide
CID 3898052
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
N-benzyl-N-(2-methylpropyl)-4-morpholin-4-ylbenzenesulfonamide
CID 90200813
3-(benzylamino)-4-(cyclohexylamino)-N-(2-methoxyethyl)benzenesulfonamide
CID 139391335
3-(benzylamino)-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145954929
3-amino-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145955557

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide (CID 4969706) is 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is MLUNEDVTYQTLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S2/c1-18-5-7-19(8-6-18)31(26,27)23-21-17-20(32(28,29)25-11-3-2-4-12-25)9-10-22(21)24-13-15-30-16-14-24/h5-10,17,23H,2-4,11-16H2,1H3.
What are the key properties of 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide?
4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 479.62 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 4969706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).