N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide

C17H16ClNO4S — CID 131702588

IUPACN-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(c1ccco1)c1ccco1
InChIInChI=1S/C17H16ClNO4S/c1-12-14(18)5-2-8-17(12)24(20,21)19-11-13(15-6-3-9-22-15)16-7-4-10-23-16/h2-10,13,19H,11H2,1H3
InChIKeyKOUGTBYGLLJLGV-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.94
Rot. Bonds6

About N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide

N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide (PubChem CID 131702588) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
PubChem CID131702588
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC NameN-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide
SMILESCc1c(Cl)cccc1S(=O)(=O)NCC(c1ccco1)c1ccco1
InChIInChI=1S/C17H16ClNO4S/c1-12-14(18)5-2-8-17(12)24(20,21)19-11-13(15-6-3-9-22-15)16-7-4-10-23-16/h2-10,13,19H,11H2,1H3
InChIKeyKOUGTBYGLLJLGV-UHFFFAOYSA-N
XLogP3.94
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
N-(2-aminopropyl)-3-chloro-2-methylbenzenesulfonamide
CID 63731915
2-chloro-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]benzenesulfonamide
CID 126850420
N-[2,2-bis(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 131702585
N-(2-aminobutyl)-3-chloro-2-methylbenzenesulfonamide
CID 55231263
N-(2-amino-4-methylpentyl)-3-chloro-2-methylbenzenesulfonamide
CID 43606378
N-[2,2-bis(furan-2-yl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 131702587
ethyl (2R)-3-[(3-chloro-2-methylphenyl)sulfonylamino]-2-methylpropanoate
CID 97028994
3-chloro-N-[(2R)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-2-methylbenzenesulfonamide
CID 124727367
3-chloro-N-[2-methoxy-2-(2-methylphenyl)ethyl]-2-methylbenzenesulfonamide
CID 71810536
ethyl 2-[(3-chloro-2-methylphenyl)sulfonylamino]acetate
CID 54921197
3-chloro-2-methyl-N-[(1-phenylcyclopropyl)methyl]benzenesulfonamide
CID 39628447

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
The IUPAC name of N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide (CID 131702588) is N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide is Cc1c(Cl)cccc1S(=O)(=O)NCC(c1ccco1)c1ccco1.
What is the InChIKey of N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
The InChIKey is KOUGTBYGLLJLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-12-14(18)5-2-8-17(12)24(20,21)19-11-13(15-6-3-9-22-15)16-7-4-10-23-16/h2-10,13,19H,11H2,1H3.
What are the key properties of N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide?
N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide has a molecular weight of 365.84 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(furan-2-yl)ethyl]-3-chloro-2-methylbenzenesulfonamide is sourced from PubChem (CID 131702588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).