2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide

C12H21BrN2O4S — CID 106044189

IUPAC2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H21BrN2O4S/c1-9(2)15(3)6-4-5-14-20(17,18)11-7-10(8-16)19-12(11)13/h7,9,14,16H,4-6,8H2,1-3H3
InChIKeyUOJFRGKHASKRGZ-UHFFFAOYSA-N
MW369.28 g/mol
LogP1.54
Rot. Bonds8

About 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide

2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide (PubChem CID 106044189) has the molecular formula C12H21BrN2O4S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
PubChem CID106044189
Molecular FormulaC12H21BrN2O4S
Molecular Weight369.28 g/mol
Exact Mass368.04
IUPAC Name2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
SMILESCC(C)N(C)CCCNS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H21BrN2O4S/c1-9(2)15(3)6-4-5-14-20(17,18)11-7-10(8-16)19-12(11)13/h7,9,14,16H,4-6,8H2,1-3H3
InChIKeyUOJFRGKHASKRGZ-UHFFFAOYSA-N
XLogP1.54
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106044181
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
3-amino-4-bromo-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034348
5-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106034479
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116
5-cyano-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106035216
5-(hydroxymethyl)-2-methyl-N-(4-propan-2-yloxybutyl)furan-3-sulfonamide
CID 106014493
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
4-hydroxy-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106037908
2-bromo-5-(hydroxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]furan-3-sulfonamide
CID 106044022
2-bromo-5-(hydroxymethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]furan-3-sulfonamide
CID 106410644
5-(hydroxymethyl)-N-(2-methoxypropyl)-2-methylfuran-3-sulfonamide
CID 102701313

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide (CID 106044189) is 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide is CC(C)N(C)CCCNS(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide?
The InChIKey is UOJFRGKHASKRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN2O4S/c1-9(2)15(3)6-4-5-14-20(17,18)11-7-10(8-16)19-12(11)13/h7,9,14,16H,4-6,8H2,1-3H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide has a molecular weight of 369.28 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide is sourced from PubChem (CID 106044189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).