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

C12H18ClNO4S — CID 65370536

IUPAC2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCCCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C12H18ClNO4S/c1-4-5-6-7-14(3)12(15)10-8-11(9(2)18-10)19(13,16)17/h8H,4-7H2,1-3H3
InChIKeyPNWFBDCHHXQDDB-UHFFFAOYSA-N
MW307.80 g/mol
LogP2.78
Rot. Bonds6

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

2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride (PubChem CID 65370536) has the molecular formula C12H18ClNO4S and a molecular weight of 307.80 g/mol. Its IUPAC name is 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride
PubChem CID65370536
Molecular FormulaC12H18ClNO4S
Molecular Weight307.80 g/mol
Exact Mass307.06
IUPAC Name2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride
SMILESCCCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1
InChIInChI=1S/C12H18ClNO4S/c1-4-5-6-7-14(3)12(15)10-8-11(9(2)18-10)19(13,16)17/h8H,4-7H2,1-3H3
InChIKeyPNWFBDCHHXQDDB-UHFFFAOYSA-N
XLogP2.78
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[methyl(pentyl)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

5-[3-methoxypropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65398763
5-[2-ethoxyethyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 81073813
2,4-dimethyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371687
N-butyl-4-(chloromethyl)-N,5-dimethylfuran-2-carboxamide
CID 82110585
2-methyl-5-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65371307
octyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65375670
5-[cyclopropyl(methyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 65371452
5-[ethyl(2-methylbutyl)carbamoyl]-2-methylfuran-3-sulfonyl chloride
CID 79471079
4-fluoro-2-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 60875056
2-bromo-5-[butyl(methyl)carbamoyl]-3-chlorobenzenesulfonyl chloride
CID 81295735
2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65373732
5-[butyl(methyl)carbamoyl]-2,4-difluorobenzenesulfonyl chloride
CID 65371988

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride?
The IUPAC name of 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride (CID 65370536) is 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride.
What is the SMILES notation for 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride?
The canonical SMILES for 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride is CCCCCN(C)C(=O)c1cc(S(=O)(=O)Cl)c(C)o1.
What is the InChIKey of 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride?
The InChIKey is PNWFBDCHHXQDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO4S/c1-4-5-6-7-14(3)12(15)10-8-11(9(2)18-10)19(13,16)17/h8H,4-7H2,1-3H3.
What are the key properties of 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride?
2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride has a molecular weight of 307.80 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[methyl(pentyl)carbamoyl]furan-3-sulfonyl chloride is sourced from PubChem (CID 65370536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).