2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride

C10H13BrClNO5S — CID 65396615

IUPAC2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCOCC(C)CNC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C10H13BrClNO5S/c1-6(5-17-2)4-13-10(14)7-3-8(9(11)18-7)19(12,15)16/h3,6H,4-5H2,1-2H3,(H,13,14)
InChIKeyKBMJYPPPTYAZMX-UHFFFAOYSA-N
MW374.64 g/mol
LogP1.98
Rot. Bonds6

About 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride

2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride (PubChem CID 65396615) has the molecular formula C10H13BrClNO5S and a molecular weight of 374.64 g/mol. Its IUPAC name is 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
PubChem CID65396615
Molecular FormulaC10H13BrClNO5S
Molecular Weight374.64 g/mol
Exact Mass372.94
IUPAC Name2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCOCC(C)CNC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C10H13BrClNO5S/c1-6(5-17-2)4-13-10(14)7-3-8(9(11)18-7)19(12,15)16/h3,6H,4-5H2,1-2H3,(H,13,14)
InChIKeyKBMJYPPPTYAZMX-UHFFFAOYSA-N
XLogP1.98
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(1-methoxypropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65368922
2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
CID 113476424
2-bromo-5-[2-(3-methylbutoxy)ethylcarbamoyl]furan-3-sulfonyl chloride
CID 65395844
2-bromo-5-(2-methylpentan-3-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65371395
5-bromo-N-(2-methylbutyl)-4-sulfamoylfuran-2-carboxamide
CID 65388655
5-bromo-N-(3-methoxy-2-methylpropyl)furan-2-carboxamide
CID 47431973
2-methylpropyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65398126
2-methoxy-5-[(3-methoxy-2-methylpropyl)carbamoyl]benzenesulfonyl chloride
CID 65397770
5-(2-methoxyethylcarbamoyl)-2-methylfuran-3-sulfonyl chloride
CID 65368796
2-bromo-5-(1-cyclopropylpropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397451
5-bromo-4-(4-methoxybutan-2-ylsulfamoyl)furan-2-carboxylic acid
CID 64604213
5-bromo-N-(2-methylsulfinylpropyl)-4-sulfamoylfuran-2-carboxamide
CID 113484536

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride?
The IUPAC name of 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride (CID 65396615) is 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride is COCC(C)CNC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1.
What is the InChIKey of 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride?
The InChIKey is KBMJYPPPTYAZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO5S/c1-6(5-17-2)4-13-10(14)7-3-8(9(11)18-7)19(12,15)16/h3,6H,4-5H2,1-2H3,(H,13,14).
What are the key properties of 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride?
2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride has a molecular weight of 374.64 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(3-methoxy-2-methylpropyl)carbamoyl]furan-3-sulfonyl chloride is sourced from PubChem (CID 65396615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).