N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide

C17H28N2O4S — CID 78874200

IUPACN-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C17H28N2O4S/c1-14(2)11-15-3-5-17(6-4-15)24(21,22)18-12-16(20)13-19-7-9-23-10-8-19/h3-6,14,16,18,20H,7-13H2,1-2H3
InChIKeyFBVCBIQRPWMBAK-UHFFFAOYSA-N
MW356.49 g/mol
LogP0.86
Rot. Bonds8

About N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide

N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide (PubChem CID 78874200) has the molecular formula C17H28N2O4S and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
PubChem CID78874200
Molecular FormulaC17H28N2O4S
Molecular Weight356.49 g/mol
Exact Mass356.18
IUPAC NameN-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)Cc1ccc(S(=O)(=O)NCC(O)CN2CCOCC2)cc1
InChIInChI=1S/C17H28N2O4S/c1-14(2)11-15-3-5-17(6-4-15)24(21,22)18-12-16(20)13-19-7-9-23-10-8-19/h3-6,14,16,18,20H,7-13H2,1-2H3
InChIKeyFBVCBIQRPWMBAK-UHFFFAOYSA-N
XLogP0.86
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclohexyl-N-(2-hydroxy-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 78833551
N-(2-hydroxy-3-morpholin-4-ylpropyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 78833549
4-chloro-N-(2-methyl-3-morpholin-4-ylpropyl)benzenesulfonamide
CID 110440458
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
4-(bromomethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 65479823
4-(1-hydroxyethyl)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 43507444
[4-[4-(2-methylpropyl)phenyl]sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 34052568
potassium N-[2-hydroxy-3-[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]propyl]sulfamate
CID 131888727
[[4-[[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]methyl]phenyl]sulfonylamino]methylphosphonic acid
CID 158781982
4-[[4-(2-methylpropyl)phenyl]sulfanylmethyl]morpholine
CID 175419722
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064575
4-bromo-N-(1-morpholin-4-ylpropan-2-yl)benzenesulfonamide
CID 47206424

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide (CID 78874200) is N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide is CC(C)Cc1ccc(S(=O)(=O)NCC(O)CN2CCOCC2)cc1.
What is the InChIKey of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
The InChIKey is FBVCBIQRPWMBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O4S/c1-14(2)11-15-3-5-17(6-4-15)24(21,22)18-12-16(20)13-19-7-9-23-10-8-19/h3-6,14,16,18,20H,7-13H2,1-2H3.
What are the key properties of N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide?
N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide has a molecular weight of 356.49 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-morpholin-4-ylpropyl)-4-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 78874200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).