3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

C20H25N3O6S2 — CID 5301690

IUPAC3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C20H25N3O6S2/c1-14-7-8-18(15(2)19(14)22-30(3,25)26)31(27,28)21-17-6-4-5-16(13-17)20(24)23-9-11-29-12-10-23/h4-8,13,21-22H,9-12H2,1-3H3
InChIKeyRFYAIZYZEXYCAU-UHFFFAOYSA-N
MW467.57 g/mol
LogP1.95
Rot. Bonds6

About 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide

3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (PubChem CID 5301690) has the molecular formula C20H25N3O6S2 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
PubChem CID5301690
Molecular FormulaC20H25N3O6S2
Molecular Weight467.57 g/mol
Exact Mass467.12
IUPAC Name3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)c1NS(C)(=O)=O
InChIInChI=1S/C20H25N3O6S2/c1-14-7-8-18(15(2)19(14)22-30(3,25)26)31(27,28)21-17-6-4-5-16(13-17)20(24)23-9-11-29-12-10-23/h4-8,13,21-22H,9-12H2,1-3H3
InChIKeyRFYAIZYZEXYCAU-UHFFFAOYSA-N
XLogP1.95
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 30684576
N-(3,4-dimethylphenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677166
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
N-(2-methyl-4-pyridinyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677176
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
N-(2,6-dimethylphenyl)-3-(morpholine-4-carbonyl)benzamide
CID 109052897
2-methyl-N-(3-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 2236821
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
1-tert-butyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 78894338

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide (CID 5301690) is 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(C)c1NS(C)(=O)=O.
What is the InChIKey of 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is RFYAIZYZEXYCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O6S2/c1-14-7-8-18(15(2)19(14)22-30(3,25)26)31(27,28)21-17-6-4-5-16(13-17)20(24)23-9-11-29-12-10-23/h4-8,13,21-22H,9-12H2,1-3H3.
What are the key properties of 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide?
3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 467.57 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-2,4-dimethyl-N-[3-(morpholine-4-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 5301690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).