2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide

C15H23BrN2O3S — CID 25497004

IUPAC2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](CNS(=O)(=O)c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C15H23BrN2O3S/c1-12(2)14(18-7-9-21-10-8-18)11-17-22(19,20)15-6-4-3-5-13(15)16/h3-6,12,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyOHMIBQIWNSBYSA-CQSZACIVSA-N
MW391.33 g/mol
LogP2.08
Rot. Bonds6

About 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide

2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide (PubChem CID 25497004) has the molecular formula C15H23BrN2O3S and a molecular weight of 391.33 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
PubChem CID25497004
Molecular FormulaC15H23BrN2O3S
Molecular Weight391.33 g/mol
Exact Mass390.06
IUPAC Name2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
SMILESCC(C)[C@@H](CNS(=O)(=O)c1ccccc1Br)N1CCOCC1
InChIInChI=1S/C15H23BrN2O3S/c1-12(2)14(18-7-9-21-10-8-18)11-17-22(19,20)15-6-4-3-5-13(15)16/h3-6,12,14,17H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyOHMIBQIWNSBYSA-CQSZACIVSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
2-bromo-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75875408
4-tert-butyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzenesulfonamide
CID 42938553
3-chloro-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide
CID 32683344
4-chloro-N-(3-methyl-2-morpholin-4-ylbutyl)-2-(trifluoromethyl)benzenesulfonamide
CID 42938556
2-cyano-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzenesulfonamide
CID 110403097
2-bromo-N-(2-methylbutyl)benzenesulfonamide
CID 3614286
N-(3-amino-2-methylpropyl)-2-bromobenzenesulfonamide
CID 115271580
2-bromo-N-(2-ethylbutyl)benzenesulfonamide
CID 84548044
4-bromo-N-(3-ethyl-2-morpholin-4-ylpentyl)benzenesulfonamide
CID 46582725
(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide
CID 95974504
1-(3-methyl-2-morpholin-4-ylbutyl)-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 42954505

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide (CID 25497004) is 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide is CC(C)[C@@H](CNS(=O)(=O)c1ccccc1Br)N1CCOCC1.
What is the InChIKey of 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
The InChIKey is OHMIBQIWNSBYSA-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23BrN2O3S/c1-12(2)14(18-7-9-21-10-8-18)11-17-22(19,20)15-6-4-3-5-13(15)16/h3-6,12,14,17H,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide?
2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide has a molecular weight of 391.33 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-3-methyl-2-morpholin-4-ylbutyl]benzenesulfonamide is sourced from PubChem (CID 25497004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).