N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

C17H26N2O4S — CID 651639

IUPACN-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-17(2,3)18-24(21,22)15-7-4-14(5-8-15)6-9-16(20)19-10-12-23-13-11-19/h4-5,7-8,18H,6,9-13H2,1-3H3
InChIKeyQAKKMIHUWBVYCF-UHFFFAOYSA-N
MW354.47 g/mol
LogP1.55
Rot. Bonds5

About N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide

N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (PubChem CID 651639) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
PubChem CID651639
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-17(2,3)18-24(21,22)15-7-4-14(5-8-15)6-9-16(20)19-10-12-23-13-11-19/h4-5,7-8,18H,6,9-13H2,1-3H3
InChIKeyQAKKMIHUWBVYCF-UHFFFAOYSA-N
XLogP1.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide (CID 651639) is N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1.
What is the InChIKey of N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
The InChIKey is QAKKMIHUWBVYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-17(2,3)18-24(21,22)15-7-4-14(5-8-15)6-9-16(20)19-10-12-23-13-11-19/h4-5,7-8,18H,6,9-13H2,1-3H3.
What are the key properties of N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide?
N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3-morpholin-4-yl-3-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 651639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).