2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide

C9H12Br2N2O3S2 — CID 115323961

IUPAC2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC1CNCCO1)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O3S2/c10-8-3-7(9(11)17-8)18(14,15)13-5-6-4-12-1-2-16-6/h3,6,12-13H,1-2,4-5H2
InChIKeyKFKJSHCQLVOFNM-UHFFFAOYSA-N
MW420.15 g/mol
LogP1.54
Rot. Bonds4

About 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide

2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide (PubChem CID 115323961) has the molecular formula C9H12Br2N2O3S2 and a molecular weight of 420.15 g/mol. Its IUPAC name is 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
PubChem CID115323961
Molecular FormulaC9H12Br2N2O3S2
Molecular Weight420.15 g/mol
Exact Mass417.87
IUPAC Name2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(NCC1CNCCO1)c1cc(Br)sc1Br
InChIInChI=1S/C9H12Br2N2O3S2/c10-8-3-7(9(11)17-8)18(14,15)13-5-6-4-12-1-2-16-6/h3,6,12-13H,1-2,4-5H2
InChIKeyKFKJSHCQLVOFNM-UHFFFAOYSA-N
XLogP1.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.15
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-chloro-N-(morpholin-2-ylmethyl)thiophene-2-sulfonamide
CID 115323934
2,5-dibromo-4-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323952
4-bromo-2-fluoro-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 116527974
4-cyano-2-methyl-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 106999010
2,5-dibromo-N-(2-piperidin-3-ylethyl)thiophene-3-sulfonamide
CID 63629400
3-bromo-4-methoxy-N-(morpholin-2-ylmethyl)benzenesulfonamide
CID 115323988
N-[[(2S)-morpholin-2-yl]methyl]methanesulfonamide
CID 93215764
5-chloro-N-(morpholin-2-ylmethyl)-4-nitrothiophene-2-sulfonamide
CID 115323938
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
N-(morpholin-2-ylmethyl)-4-propan-2-ylbenzenesulfonamide
CID 115323924
1-methyl-N-(morpholin-2-ylmethyl)pyrrole-3-sulfonamide
CID 115324014
4-methoxy-2-methyl-N-(1,4-oxazepan-2-ylmethyl)benzenesulfonamide
CID 154741903

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide (CID 115323961) is 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide is O=S(=O)(NCC1CNCCO1)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is KFKJSHCQLVOFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Br2N2O3S2/c10-8-3-7(9(11)17-8)18(14,15)13-5-6-4-12-1-2-16-6/h3,6,12-13H,1-2,4-5H2.
What are the key properties of 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide?
2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 420.15 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-(morpholin-2-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 115323961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).