5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide

C17H16ClNO4S2 — CID 121133548

IUPAC5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(O)c2ccco2)s1
InChIInChI=1S/C17H16ClNO4S2/c1-11-4-5-12(18)9-16(11)25(21,22)19-10-13-6-7-15(24-13)17(20)14-3-2-8-23-14/h2-9,17,19-20H,10H2,1H3
InChIKeyUSFHSOMWEYQQEJ-UHFFFAOYSA-N
MW397.91 g/mol
LogP3.86
Rot. Bonds6

About 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide

5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 121133548) has the molecular formula C17H16ClNO4S2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID121133548
Molecular FormulaC17H16ClNO4S2
Molecular Weight397.91 g/mol
Exact Mass397.02
IUPAC Name5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(O)c2ccco2)s1
InChIInChI=1S/C17H16ClNO4S2/c1-11-4-5-12(18)9-16(11)25(21,22)19-10-13-6-7-15(24-13)17(20)14-3-2-8-23-14/h2-9,17,19-20H,10H2,1H3
InChIKeyUSFHSOMWEYQQEJ-UHFFFAOYSA-N
XLogP3.86
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[[5-[(R)-furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 99873374
3,4-difluoro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133529
2-bromo-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 121133577
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 121133566
2,5-dichloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]benzamide
CID 121133443
N-[[5-[hydroxy(thiophen-3-yl)methyl]thiophen-2-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 121133870
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 121133584
5-chloro-N-(2-hydroxypropyl)-2-methylbenzenesulfonamide
CID 43502330
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
4-fluoro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide
CID 121134240
N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-(2-methylphenoxy)acetamide
CID 121133399

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide (CID 121133548) is 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(C(O)c2ccco2)s1.
What is the InChIKey of 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is USFHSOMWEYQQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S2/c1-11-4-5-12(18)9-16(11)25(21,22)19-10-13-6-7-15(24-13)17(20)14-3-2-8-23-14/h2-9,17,19-20H,10H2,1H3.
What are the key properties of 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide?
5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 397.91 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[5-[furan-2-yl(hydroxy)methyl]thiophen-2-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 121133548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).