3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide

C17H14ClNO4S2 — CID 90612314

IUPAC3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1Cl
InChIInChI=1S/C17H14ClNO4S2/c1-11-4-6-13(9-14(11)18)25(21,22)19-10-12-5-7-16(24-12)17(20)15-3-2-8-23-15/h2-9,19H,10H2,1H3
InChIKeyAEXKEOMIJHFTPK-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.01
Rot. Bonds6

About 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide

3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide (PubChem CID 90612314) has the molecular formula C17H14ClNO4S2 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide
PubChem CID90612314
Molecular FormulaC17H14ClNO4S2
Molecular Weight395.89 g/mol
Exact Mass395.01
IUPAC Name3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1Cl
InChIInChI=1S/C17H14ClNO4S2/c1-11-4-6-13(9-14(11)18)25(21,22)19-10-12-5-7-16(24-12)17(20)15-3-2-8-23-15/h2-9,19H,10H2,1H3
InChIKeyAEXKEOMIJHFTPK-UHFFFAOYSA-N
XLogP4.01
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612294
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613206
5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90612336
N-[(5-benzoylthiophen-2-yl)methyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90613039
3-chloro-N-[(3-chloro-4-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 3673362
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 90612127
3-chloro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzenesulfonamide
CID 55880160
3-chloro-N-[(3-iodophenyl)methyl]-4-methylbenzenesulfonamide
CID 5017106
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
3-chloro-4-methyl-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 49458302

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide (CID 90612314) is 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)c3ccco3)s2)cc1Cl.
What is the InChIKey of 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is AEXKEOMIJHFTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO4S2/c1-11-4-6-13(9-14(11)18)25(21,22)19-10-12-5-7-16(24-12)17(20)15-3-2-8-23-15/h2-9,19H,10H2,1H3.
What are the key properties of 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide?
3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 395.89 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 90612314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).