N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide

C18H17NO4S — CID 67282472

IUPACN-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccoc2)cc1N(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO4S/c1-13-3-4-14(15-9-10-23-12-15)11-18(13)19(2)24(21,22)17-7-5-16(20)6-8-17/h3-12,20H,1-2H3
InChIKeyHAMADQLGRAFIIW-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.79
Rot. Bonds4

About N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide

N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide (PubChem CID 67282472) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
PubChem CID67282472
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC NameN-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccoc2)cc1N(C)S(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C18H17NO4S/c1-13-3-4-14(15-9-10-23-12-15)11-18(13)19(2)24(21,22)17-7-5-16(20)6-8-17/h3-12,20H,1-2H3
InChIKeyHAMADQLGRAFIIW-UHFFFAOYSA-N
XLogP3.79
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-methyl-N-(2-methyl-5-thiophen-2-ylphenyl)benzenesulfonamide
CID 67282795
N-[5-(5-cyanofuran-2-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide
CID 154073599
3-[benzenesulfonyl(methyl)amino]-4-methylbenzoic acid
CID 100552976
3-[(4-chlorophenyl)sulfonyl-methylamino]-4-methylbenzoic acid
CID 100553005
4-(3-hydroxy-4-methylphenyl)-N,N-dimethylbenzenesulfonamide
CID 53219192
methyl 4-methyl-3-[methyl-(4-nitrophenyl)sulfonylamino]benzoate
CID 100527987
N-(5-chloro-2-methylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100503345
N,6-dimethyl-N-[2-methyl-5-(5-methylfuran-2-yl)phenyl]pyridine-3-sulfonamide
CID 158873106
N-(2,5-dimethylphenyl)-N-methyl-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 55890930
N-(furan-3-ylmethyl)-N,3,4-trimethylbenzenesulfonamide
CID 47358994
methyl 3-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-4-methylbenzoate
CID 100513252
N-[3-(dimethylamino)-4-methylphenyl]-4-hydroxybenzenesulfonamide
CID 115378355

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide (CID 67282472) is N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide is Cc1ccc(-c2ccoc2)cc1N(C)S(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is HAMADQLGRAFIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-13-3-4-14(15-9-10-23-12-15)11-18(13)19(2)24(21,22)17-7-5-16(20)6-8-17/h3-12,20H,1-2H3.
What are the key properties of N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide?
N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 343.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-2-methylphenyl]-4-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 67282472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).