N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C17H26N2O4S — CID 1287984

IUPACN-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-14(2)13-18-24(21,22)16-6-3-15(4-7-16)5-8-17(20)19-9-11-23-12-10-19/h3-4,6-7,14,18H,5,8-13H2,1-2H3
InChIKeyABPFRKCDSNGHSY-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.41
Rot. Bonds7

About N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 1287984) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID1287984
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-14(2)13-18-24(21,22)16-6-3-15(4-7-16)5-8-17(20)19-9-11-23-12-10-19/h3-4,6-7,14,18H,5,8-13H2,1-2H3
InChIKeyABPFRKCDSNGHSY-UHFFFAOYSA-N
XLogP1.41
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 1287984) is N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is ABPFRKCDSNGHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14(2)13-18-24(21,22)16-6-3-15(4-7-16)5-8-17(20)19-9-11-23-12-10-19/h3-4,6-7,14,18H,5,8-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 1287984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).