2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide

C9H14ClNO3S — CID 107651758

IUPAC2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)CCCl
InChIInChI=1S/C9H14ClNO3S/c1-8-9(3-5-14-8)7-11(2)15(12,13)6-4-10/h3,5H,4,6-7H2,1-2H3
InChIKeyJXIAUTOUFDXVRF-UHFFFAOYSA-N
MW251.73 g/mol
LogP1.59
Rot. Bonds5

About 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide

2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide (PubChem CID 107651758) has the molecular formula C9H14ClNO3S and a molecular weight of 251.73 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide
PubChem CID107651758
Molecular FormulaC9H14ClNO3S
Molecular Weight251.73 g/mol
Exact Mass251.04
IUPAC Name2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide
SMILESCc1occc1CN(C)S(=O)(=O)CCCl
InChIInChI=1S/C9H14ClNO3S/c1-8-9(3-5-14-8)7-11(2)15(12,13)6-4-10/h3,5H,4,6-7H2,1-2H3
InChIKeyJXIAUTOUFDXVRF-UHFFFAOYSA-N
XLogP1.59
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.73
LogP ≤ 51.59
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

N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-2-sulfonamide
CID 61384057
2-cyclopropyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]propane-1-sulfonamide
CID 136571371
5-bromo-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387662
N'-methyl-N'-[methyl-[(2-methylfuran-3-yl)methyl]sulfamoyl]propane-1,3-diamine
CID 54952619
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
4-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 61426476
5-bromo-N,4-dimethyl-N-[(2-methylfuran-3-yl)methyl]thiophene-2-sulfonamide
CID 79931229
2-bromo-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 47387654
5-amino-N,2,3-trimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426713
4-amino-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426919
3-amino-4-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]benzenesulfonamide
CID 61426284
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide?
The IUPAC name of 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide (CID 107651758) is 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide?
The canonical SMILES for 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide is Cc1occc1CN(C)S(=O)(=O)CCCl.
What is the InChIKey of 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide?
The InChIKey is JXIAUTOUFDXVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO3S/c1-8-9(3-5-14-8)7-11(2)15(12,13)6-4-10/h3,5H,4,6-7H2,1-2H3.
What are the key properties of 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide?
2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide has a molecular weight of 251.73 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 107651758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).