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

C16H12ClNO4S2 — CID 90612294

IUPAC4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H12ClNO4S2/c17-11-3-6-13(7-4-11)24(20,21)18-10-12-5-8-15(23-12)16(19)14-2-1-9-22-14/h1-9,18H,10H2
InChIKeyVLDJXNCVGNJGSN-UHFFFAOYSA-N
MW381.86 g/mol
LogP3.70
Rot. Bonds6

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

4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 90612294) has the molecular formula C16H12ClNO4S2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID90612294
Molecular FormulaC16H12ClNO4S2
Molecular Weight381.86 g/mol
Exact Mass380.99
IUPAC Name4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C16H12ClNO4S2/c17-11-3-6-13(7-4-11)24(20,21)18-10-12-5-8-15(23-12)16(19)14-2-1-9-22-14/h1-9,18H,10H2
InChIKeyVLDJXNCVGNJGSN-UHFFFAOYSA-N
XLogP3.70
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide
CID 90612314
5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90612336
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613206
N-[(5-benzoylthiophen-2-yl)methyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90613039
[5-(2-aminoethyl)thiophen-2-yl]-(furan-2-yl)methanone;hydrobromide
CID 72716721
2,6-difluoro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzamide
CID 72717493
5-[[(4-chlorophenyl)sulfonylamino]methyl]thiophene-2-sulfonamide
CID 43242482
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-methylbutanamide
CID 72717480
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]pyridine-4-carboxamide
CID 90612101
4-chloro-N-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]benzenesulfonamide
CID 73167916
4-ethyl-N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612653
(E)-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 90612110

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 90612294) is 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is VLDJXNCVGNJGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO4S2/c17-11-3-6-13(7-4-11)24(20,21)18-10-12-5-8-15(23-12)16(19)14-2-1-9-22-14/h1-9,18H,10H2.
What are the key properties of 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide?
4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 381.86 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 90612294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).