1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide

C12H17BrN2O3S — CID 83085852

IUPAC1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H17BrN2O3S/c13-10-19(16,17)14-12-3-1-11(2-4-12)9-15-5-7-18-8-6-15/h1-4,14H,5-10H2
InChIKeySMHZVNAMNJQWDB-UHFFFAOYSA-N
MW349.25 g/mol
LogP1.61
Rot. Bonds5

About 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide

1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide (PubChem CID 83085852) has the molecular formula C12H17BrN2O3S and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
PubChem CID83085852
Molecular FormulaC12H17BrN2O3S
Molecular Weight349.25 g/mol
Exact Mass348.01
IUPAC Name1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H17BrN2O3S/c13-10-19(16,17)14-12-3-1-11(2-4-12)9-15-5-7-18-8-6-15/h1-4,14H,5-10H2
InChIKeySMHZVNAMNJQWDB-UHFFFAOYSA-N
XLogP1.61
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
4-butan-2-yl-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 112773326
4-(morpholin-4-ylmethyl)-N-propan-2-ylaniline
CID 28716282
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
N-[4-(2-bromoethyl)phenyl]morpholine-4-sulfonamide
CID 114296429
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
N-[4-(morpholin-4-ylmethyl)phenyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 91819596
(2S)-2-amino-4-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 119832107
3-[[4-(pyrrolidin-1-ylmethyl)phenyl]sulfamoyl]propanoic acid
CID 43705969
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[4-(morpholin-4-ylmethyl)phenyl]-1,1-dioxothian-4-amine
CID 21192616

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide (CID 83085852) is 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide is O=S(=O)(CBr)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
The InChIKey is SMHZVNAMNJQWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O3S/c13-10-19(16,17)14-12-3-1-11(2-4-12)9-15-5-7-18-8-6-15/h1-4,14H,5-10H2.
What are the key properties of 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide?
1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide has a molecular weight of 349.25 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[4-(morpholin-4-ylmethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 83085852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).