2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide

C24H26ClN3O4S — CID 2106784

IUPAC2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)c1C
InChIInChI=1S/C24H26ClN3O4S/c1-17-5-3-7-22(18(17)2)27-10-12-28(13-11-27)24(29)19-8-9-21(25)23(15-19)33(30,31)26-16-20-6-4-14-32-20/h3-9,14-15,26H,10-13,16H2,1-2H3
InChIKeyKBSSLURKVBNDSL-UHFFFAOYSA-N
MW488.01 g/mol
LogP3.99
Rot. Bonds6

About 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide

2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 2106784) has the molecular formula C24H26ClN3O4S and a molecular weight of 488.01 g/mol. Its IUPAC name is 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID2106784
Molecular FormulaC24H26ClN3O4S
Molecular Weight488.01 g/mol
Exact Mass487.13
IUPAC Name2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESCc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)c1C
InChIInChI=1S/C24H26ClN3O4S/c1-17-5-3-7-22(18(17)2)27-10-12-28(13-11-27)24(29)19-8-9-21(25)23(15-19)33(30,31)26-16-20-6-4-14-32-20/h3-9,14-15,26H,10-13,16H2,1-2H3
InChIKeyKBSSLURKVBNDSL-UHFFFAOYSA-N
XLogP3.99
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.01
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 2450838
5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 27259303
3-[4-(2-fluorophenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide
CID 26590679
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(furan-2-ylmethylamino)pyrimidin-4-yl]methanone
CID 109346165
(3,5-dichlorophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 26881725
N-[2-chloro-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 30395425
4-chloro-N-(2,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 36865653
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
N-[5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-2-methylphenyl]furan-2-carboxamide
CID 9154613
(4-chloro-3-nitrophenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 1346504
(3-amino-4-methylphenyl)-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 28723517
2-chloro-N-(2,3-dimethylphenyl)-5-(morpholine-4-carbonyl)benzenesulfonamide
CID 1289241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide (CID 2106784) is 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide is Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(=O)(=O)NCc4ccco4)c3)CC2)c1C.
What is the InChIKey of 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is KBSSLURKVBNDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O4S/c1-17-5-3-7-22(18(17)2)27-10-12-28(13-11-27)24(29)19-8-9-21(25)23(15-19)33(30,31)26-16-20-6-4-14-32-20/h3-9,14-15,26H,10-13,16H2,1-2H3.
What are the key properties of 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide?
2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 488.01 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2106784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).