3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide

C10H16ClNO3S — CID 79580377

IUPAC3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C10H16ClNO3S/c1-9(6-11)8-16(13,14)12(2)7-10-4-3-5-15-10/h3-5,9H,6-8H2,1-2H3
InChIKeyAMEFSMKCGBHPHU-UHFFFAOYSA-N
MW265.76 g/mol
LogP1.92
Rot. Bonds6

About 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide

3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide (PubChem CID 79580377) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
PubChem CID79580377
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC Name3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)N(C)Cc1ccco1
InChIInChI=1S/C10H16ClNO3S/c1-9(6-11)8-16(13,14)12(2)7-10-4-3-5-15-10/h3-5,9H,6-8H2,1-2H3
InChIKeyAMEFSMKCGBHPHU-UHFFFAOYSA-N
XLogP1.92
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]propane-1-sulfonamide
CID 79580904
1-(2-aminophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 62022626
3-[furan-2-ylmethyl(methyl)sulfamoyl]propanoic acid
CID 43526885
N-(furan-2-ylmethyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
CID 51169518
4-[furan-2-ylmethyl(methyl)sulfamoyl]butanoic acid
CID 43526884
3-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpropane-1-sulfonamide
CID 79580202
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
1-(4-cyanophenyl)-N-(furan-2-ylmethyl)-N-methylmethanesulfonamide
CID 43397003
3-chloro-N,2-dimethyl-N-[(2-nitrophenyl)methyl]propane-1-sulfonamide
CID 79585651
3-chloro-N,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propane-1-sulfonamide
CID 79585710
N-(furan-2-ylmethyl)-4-iodo-N-methylbenzenesulfonamide
CID 3820660
2-amino-5-chloro-N-(furan-2-ylmethyl)-N-methylbenzenesulfonamide
CID 54888480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide (CID 79580377) is 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)N(C)Cc1ccco1.
What is the InChIKey of 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide?
The InChIKey is AMEFSMKCGBHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c1-9(6-11)8-16(13,14)12(2)7-10-4-3-5-15-10/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide?
3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide has a molecular weight of 265.76 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(furan-2-ylmethyl)-N,2-dimethylpropane-1-sulfonamide is sourced from PubChem (CID 79580377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).