N-chloro-1-(furan-2-yl)methanesulfonamide

C5H6ClNO3S — CID 174392651

IUPACN-chloro-1-(furan-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccco1)NCl
InChIInChI=1S/C5H6ClNO3S/c6-7-11(8,9)4-5-2-1-3-10-5/h1-3,7H,4H2
InChIKeyCSWQILZECMFVCG-UHFFFAOYSA-N
MW195.63 g/mol
LogP0.85
Rot. Bonds3

About N-chloro-1-(furan-2-yl)methanesulfonamide

N-chloro-1-(furan-2-yl)methanesulfonamide (PubChem CID 174392651) has the molecular formula C5H6ClNO3S and a molecular weight of 195.63 g/mol. Its IUPAC name is N-chloro-1-(furan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-chloro-1-(furan-2-yl)methanesulfonamide
PubChem CID174392651
Molecular FormulaC5H6ClNO3S
Molecular Weight195.63 g/mol
Exact Mass194.98
IUPAC NameN-chloro-1-(furan-2-yl)methanesulfonamide
SMILESO=S(=O)(Cc1ccco1)NCl
InChIInChI=1S/C5H6ClNO3S/c6-7-11(8,9)4-5-2-1-3-10-5/h1-3,7H,4H2
InChIKeyCSWQILZECMFVCG-UHFFFAOYSA-N
XLogP0.85
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.63
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(aminomethyl)phenyl]-N-[2-(furan-2-yl)ethyl]methanesulfonamide
CID 61472657
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
N-[2-(furan-2-yl)ethyl]-1-(3-methylphenyl)methanesulfonamide
CID 110733578
1-[3-(aminomethyl)phenyl]-N-(furan-2-ylmethyl)methanesulfonamide
CID 54886109
2-(furan-2-yl)ethanesulfonamide
CID 174885550
1-(4-chlorophenyl)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]methanesulfonamide
CID 18891330
N-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
CID 115595242
N-[2-(furan-2-yl)ethyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54972457
(2,4-dichlorophenyl)-[3-(furan-2-ylmethylsulfonyl)azetidin-1-yl]methanone
CID 90594622
3-(furan-2-ylmethylsulfonyl)-8-azabicyclo[3.2.1]octane
CID 134086012
ethyl 2-(furan-2-ylmethylsulfonyl)acetate
CID 15626811

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(furan-2-yl)methanesulfonamide?
The IUPAC name of N-chloro-1-(furan-2-yl)methanesulfonamide (CID 174392651) is N-chloro-1-(furan-2-yl)methanesulfonamide.
What is the SMILES notation for N-chloro-1-(furan-2-yl)methanesulfonamide?
The canonical SMILES for N-chloro-1-(furan-2-yl)methanesulfonamide is O=S(=O)(Cc1ccco1)NCl.
What is the InChIKey of N-chloro-1-(furan-2-yl)methanesulfonamide?
The InChIKey is CSWQILZECMFVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S/c6-7-11(8,9)4-5-2-1-3-10-5/h1-3,7H,4H2.
What are the key properties of N-chloro-1-(furan-2-yl)methanesulfonamide?
N-chloro-1-(furan-2-yl)methanesulfonamide has a molecular weight of 195.63 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(furan-2-yl)methanesulfonamide is sourced from PubChem (CID 174392651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).