4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide

C10H16ClNO3S — CID 116816025

IUPAC4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)CCCCCl
InChIInChI=1S/C10H16ClNO3S/c1-12(8-10-4-6-15-9-10)16(13,14)7-3-2-5-11/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyNBBLFZUFHRRVTA-UHFFFAOYSA-N
MW265.76 g/mol
LogP2.06
Rot. Bonds7

About 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide

4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide (PubChem CID 116816025) has the molecular formula C10H16ClNO3S and a molecular weight of 265.76 g/mol. Its IUPAC name is 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide
PubChem CID116816025
Molecular FormulaC10H16ClNO3S
Molecular Weight265.76 g/mol
Exact Mass265.05
IUPAC Name4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide
SMILESCN(Cc1ccoc1)S(=O)(=O)CCCCCl
InChIInChI=1S/C10H16ClNO3S/c1-12(8-10-4-6-15-9-10)16(13,14)7-3-2-5-11/h4,6,9H,2-3,5,7-8H2,1H3
InChIKeyNBBLFZUFHRRVTA-UHFFFAOYSA-N
XLogP2.06
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.76
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-3-ylmethyl)-N-(2-methoxyethyl)methanesulfonamide
CID 71803996
1-[(1R,2R)-2-(difluoromethyl)cyclopropyl]-N-(furan-3-ylmethyl)-N-methylmethanesulfonamide
CID 146149370
N-(furan-3-ylmethyl)-N-(2-methoxyethyl)-2-methylpropane-1-sulfonamide
CID 71803997
N-[(Furan-3-YL)methyl]-N-methylmethanesulfonamide
CID 20745865
4-(Furan-3-ylmethyl)-1,4-thiazinane 1,1-dioxide
CID 58283486
N-(furan-3-ylmethyl)-2-methylsulfonylethanamine
CID 63001172
N-(furan-3-ylmethyl)propane-2-sulfonamide
CID 47372317
N-(furan-3-ylmethyl)propane-1-sulfonamide
CID 47387332
Methyl 4-[furan-3-ylmethyl(methyl)sulfamoyl]butanoate
CID 54952125
N-(furan-3-ylmethyl)-N-methyl-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54971994
N-(furan-3-ylmethyl)-N-methyl-2-(propan-2-ylamino)ethanesulfonamide
CID 54972648
N-(furan-3-ylmethyl)-N-methylpiperidine-3-sulfonamide
CID 54972696

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide?
The IUPAC name of 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide (CID 116816025) is 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide.
What is the SMILES notation for 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide?
The canonical SMILES for 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide is CN(Cc1ccoc1)S(=O)(=O)CCCCCl.
What is the InChIKey of 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide?
The InChIKey is NBBLFZUFHRRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO3S/c1-12(8-10-4-6-15-9-10)16(13,14)7-3-2-5-11/h4,6,9H,2-3,5,7-8H2,1H3.
What are the key properties of 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide?
4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide has a molecular weight of 265.76 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(furan-3-ylmethyl)-N-methylbutane-1-sulfonamide is sourced from PubChem (CID 116816025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).