2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide

C20H17Cl2N3O5S2 — CID 2650133

IUPAC2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H17Cl2N3O5S2/c21-17-12-16(18(22)31-17)32(28,29)23-14-5-3-13(4-6-14)19(26)24-7-9-25(10-8-24)20(27)15-2-1-11-30-15/h1-6,11-12,23H,7-10H2
InChIKeyKIRAAPPAJABTRK-UHFFFAOYSA-N
MW514.41 g/mol
LogP4.05
Rot. Bonds5

About 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide

2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide (PubChem CID 2650133) has the molecular formula C20H17Cl2N3O5S2 and a molecular weight of 514.41 g/mol. Its IUPAC name is 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide
PubChem CID2650133
Molecular FormulaC20H17Cl2N3O5S2
Molecular Weight514.41 g/mol
Exact Mass513.00
IUPAC Name2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide
SMILESO=C(c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H17Cl2N3O5S2/c21-17-12-16(18(22)31-17)32(28,29)23-14-5-3-13(4-6-14)19(26)24-7-9-25(10-8-24)20(27)15-2-1-11-30-15/h1-6,11-12,23H,7-10H2
InChIKeyKIRAAPPAJABTRK-UHFFFAOYSA-N
XLogP4.05
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 108544713
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 4-chloro-3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 25041601
N-[4-(difluoromethylsulfanyl)phenyl]-3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]benzenesulfonamide
CID 42910410
[(2S)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-1-oxopropan-2-yl] 4-methyl-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 2449564
4-[(2,5-dichlorothiophen-3-yl)sulfonylamino]-N-(2-morpholin-4-ylphenyl)benzamide
CID 4842248
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 34472481
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]butanamide
CID 7333667
2,5-dichloro-N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]benzenesulfonamide
CID 16943996
[4-[[(3aS,6aS)-5,5-dioxo-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]thiazol-2-yl]amino]phenyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 40627503
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-5-chlorothiophene-2-sulfonamide
CID 2353026
2-[3-[(2,5-dichlorothiophen-3-yl)sulfonylamino]phenyl]acetic acid
CID 65345578

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide (CID 2650133) is 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide is O=C(c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide?
The InChIKey is KIRAAPPAJABTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O5S2/c21-17-12-16(18(22)31-17)32(28,29)23-14-5-3-13(4-6-14)19(26)24-7-9-25(10-8-24)20(27)15-2-1-11-30-15/h1-6,11-12,23H,7-10H2.
What are the key properties of 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide has a molecular weight of 514.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]phenyl]thiophene-3-sulfonamide is sourced from PubChem (CID 2650133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).