2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride

C11H13BrClNO4S — CID 65398182

IUPAC2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCN(CC1CCC1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C11H13BrClNO4S/c1-14(6-7-3-2-4-7)11(15)8-5-9(10(12)18-8)19(13,16)17/h5,7H,2-4,6H2,1H3
InChIKeyBQUISSVSMQMIAD-UHFFFAOYSA-N
MW370.65 g/mol
LogP2.84
Rot. Bonds4

About 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride

2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride (PubChem CID 65398182) has the molecular formula C11H13BrClNO4S and a molecular weight of 370.65 g/mol. Its IUPAC name is 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride
PubChem CID65398182
Molecular FormulaC11H13BrClNO4S
Molecular Weight370.65 g/mol
Exact Mass368.94
IUPAC Name2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCN(CC1CCC1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C11H13BrClNO4S/c1-14(6-7-3-2-4-7)11(15)8-5-9(10(12)18-8)19(13,16)17/h5,7H,2-4,6H2,1H3
InChIKeyBQUISSVSMQMIAD-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.65
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclobutylmethyl(methyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 62861182
N-(cyclopropylmethyl)-N,5-dimethyl-4-sulfamoylfuran-2-carboxamide
CID 65386276
2-[cyclobutylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 62861010
5-bromo-4-[cyclohexylmethyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 62829354
5-bromo-N,N-bis(cyclopropylmethyl)-4-sulfamoylfuran-2-carboxamide
CID 65381791
2-bromo-5-[cyclopropylmethyl(methyl)carbamoyl]-3-fluorobenzenesulfonyl chloride
CID 65372891
2-bromo-5-[cyclopropylmethyl(methyl)carbamoyl]-4-fluorobenzenesulfonyl chloride
CID 65371740
2-bromo-5-(2-cyclopropylpropylcarbamoyl)furan-3-sulfonyl chloride
CID 113476424
2-bromo-5-(1-cyclopropylpropan-2-ylcarbamoyl)furan-3-sulfonyl chloride
CID 65397451
(2-ethylcyclohexyl) 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65397739
5-bromo-4-[cyclobutyl(methyl)sulfamoyl]furan-2-carboxylic acid
CID 104656520
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride?
The IUPAC name of 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride (CID 65398182) is 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride is CN(CC1CCC1)C(=O)c1cc(S(=O)(=O)Cl)c(Br)o1.
What is the InChIKey of 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride?
The InChIKey is BQUISSVSMQMIAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrClNO4S/c1-14(6-7-3-2-4-7)11(15)8-5-9(10(12)18-8)19(13,16)17/h5,7H,2-4,6H2,1H3.
What are the key properties of 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride?
2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride has a molecular weight of 370.65 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride is sourced from PubChem (CID 65398182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).