2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

C12H12ClNO3S — CID 32672518

IUPAC2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)c(Cl)c1
InChIInChI=1S/C12H12ClNO3S/c1-9-4-5-12(11(13)7-9)18(15,16)14-8-10-3-2-6-17-10/h2-7,14H,8H2,1H3
InChIKeyNFECTVAYPKVZQR-UHFFFAOYSA-N
MW285.75 g/mol
LogP2.72
Rot. Bonds4

About 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide

2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (PubChem CID 32672518) has the molecular formula C12H12ClNO3S and a molecular weight of 285.75 g/mol. Its IUPAC name is 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
PubChem CID32672518
Molecular FormulaC12H12ClNO3S
Molecular Weight285.75 g/mol
Exact Mass285.02
IUPAC Name2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccco2)c(Cl)c1
InChIInChI=1S/C12H12ClNO3S/c1-9-4-5-12(11(13)7-9)18(15,16)14-8-10-3-2-6-17-10/h2-7,14H,8H2,1H3
InChIKeyNFECTVAYPKVZQR-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

3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
N-(2-chloro-4-methylphenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 4789763
4-bromo-2,6-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26944366
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
3-amino-5-chloro-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 103050157
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
N-[3-(furan-2-ylmethylsulfamoyl)-4-methylphenyl]acetamide
CID 39791883
5-ethoxy-N-(furan-2-ylmethyl)-2,4-dimethylbenzenesulfonamide
CID 934715

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide (CID 32672518) is 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccco2)c(Cl)c1.
What is the InChIKey of 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
The InChIKey is NFECTVAYPKVZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO3S/c1-9-4-5-12(11(13)7-9)18(15,16)14-8-10-3-2-6-17-10/h2-7,14H,8H2,1H3.
What are the key properties of 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide?
2-chloro-N-(furan-2-ylmethyl)-4-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 2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 32672518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).