N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid

C24H34N2O6S — CID 157173428

IUPACN-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid
SMILESCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCOCC3CO)cc2)c(C)c1.O=CO
InChIInChI=1S/C23H32N2O4S.CH2O2/c1-17(2)14-25(23-10-5-18(3)13-19(23)4)30(27,28)22-8-6-20(7-9-22)24-11-12-29-16-21(24)15-26;2-1-3/h5-10,13,17,21,26H,11-12,14-16H2,1-4H3;1H,(H,2,3)
InChIKeyANSUDUMLFFKEIC-UHFFFAOYSA-N
MW478.61 g/mol
LogP3.05
Rot. Bonds7

About N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid

N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid (PubChem CID 157173428) has the molecular formula C24H34N2O6S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid
PubChem CID157173428
Molecular FormulaC24H34N2O6S
Molecular Weight478.61 g/mol
Exact Mass478.21
IUPAC NameN-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid
SMILESCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCOCC3CO)cc2)c(C)c1.O=CO
InChIInChI=1S/C23H32N2O4S.CH2O2/c1-17(2)14-25(23-10-5-18(3)13-19(23)4)30(27,28)22-8-6-20(7-9-22)24-11-12-29-16-21(24)15-26;2-1-3/h5-10,13,17,21,26H,11-12,14-16H2,1-4H3;1H,(H,2,3)
InChIKeyANSUDUMLFFKEIC-UHFFFAOYSA-N
XLogP3.05
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

chloromethane;bis(N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide);isocyanomethane
CID 159531527
N-(2,4-dimethylphenyl)-N-(2-methylpropyl)-1-(oxan-4-ylmethyl)indazole-5-sulfonamide
CID 121421719
2-bromo-5-[(2,4-dimethylphenyl)-(2-methylpropyl)sulfamoyl]benzenesulfonyl chloride
CID 121429334
2-[4-(4-methylphenyl)morpholin-3-yl]acetic acid
CID 117009339
(4-phenylmorpholin-3-yl)methanol
CID 91802000
[4-(4-methoxyphenyl)morpholin-3-yl]methanol
CID 117009227
methyl 3-[(2,4-dimethylphenyl)-(2-methylpropyl)sulfamoyl]benzoate
CID 86731584
4-(3-methyl-4-nitrophenyl)-3-(2-methylpropyl)morpholine
CID 133428121
3-[4-(4-methylphenyl)morpholin-3-yl]propanoic acid
CID 117009405
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]acetamide
CID 43893750
[4-(3,4-diaminophenyl)morpholin-3-yl]methanol
CID 106751224
[4-(3-chloro-4-fluorophenyl)morpholin-3-yl]methanol
CID 117009219

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid (CID 157173428) is N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid is Cc1ccc(N(CC(C)C)S(=O)(=O)c2ccc(N3CCOCC3CO)cc2)c(C)c1.O=CO.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid?
The InChIKey is ANSUDUMLFFKEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O4S.CH2O2/c1-17(2)14-25(23-10-5-18(3)13-19(23)4)30(27,28)22-8-6-20(7-9-22)24-11-12-29-16-21(24)15-26;2-1-3/h5-10,13,17,21,26H,11-12,14-16H2,1-4H3;1H,(H,2,3).
What are the key properties of N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid?
N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid has a molecular weight of 478.61 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[3-(hydroxymethyl)morpholin-4-yl]-N-(2-methylpropyl)benzenesulfonamide;formic acid is sourced from PubChem (CID 157173428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).