5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

C12H12ClNO3S — CID 839333

IUPAC5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H12ClNO3S/c1-9-4-5-10(13)7-12(9)18(15,16)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3
InChIKeyQNOQRXGRYNLSMS-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.72
Rot. Bonds4

About 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide

5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (PubChem CID 839333) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
PubChem CID839333
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1
InChIInChI=1S/C12H12ClNO3S/c1-9-4-5-10(13)7-12(9)18(15,16)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3
InChIKeyQNOQRXGRYNLSMS-UHFFFAOYSA-N
XLogP2.72
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121133548
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715
5-chloro-2-methyl-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 55100686
5-chloro-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62659311
5-amino-N-[2-(furan-2-yl)ethyl]-2-methylbenzenesulfonamide
CID 61128181
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide (CID 839333) is 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1.
What is the InChIKey of 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
The InChIKey is QNOQRXGRYNLSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-9-4-5-10(13)7-12(9)18(15,16)14-8-11-3-2-6-17-11/h2-7,14H,8H2,1H3.
What are the key properties of 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide?
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide has a molecular weight of 285.75 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 839333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).