2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide

C15H18Cl2N2O4S2 — CID 55461406

IUPAC2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2cc(Cl)sc2Cl)N2CCOCC2)o1
InChIInChI=1S/C15H18Cl2N2O4S2/c1-10-2-3-12(23-10)11(19-4-6-22-7-5-19)9-18-25(20,21)13-8-14(16)24-15(13)17/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyUSIAGPKIKFVQAK-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.31
Rot. Bonds6

About 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide

2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide (PubChem CID 55461406) has the molecular formula C15H18Cl2N2O4S2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
PubChem CID55461406
Molecular FormulaC15H18Cl2N2O4S2
Molecular Weight425.36 g/mol
Exact Mass424.01
IUPAC Name2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2cc(Cl)sc2Cl)N2CCOCC2)o1
InChIInChI=1S/C15H18Cl2N2O4S2/c1-10-2-3-12(23-10)11(19-4-6-22-7-5-19)9-18-25(20,21)13-8-14(16)24-15(13)17/h2-3,8,11,18H,4-7,9H2,1H3
InChIKeyUSIAGPKIKFVQAK-UHFFFAOYSA-N
XLogP3.31
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-chloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46657947
3-chloro-2-fluoro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 46457742
4-[(1R)-2-(dibutylsulfamoylamino)-1-(5-methylfuran-2-yl)ethyl]morpholine
CID 51946495
2-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propan-1-amine
CID 120509320
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18168876
3-(methanesulfonamido)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]propanamide
CID 118763137
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
4-ethyl-5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51283119
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 31444791
2-amino-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 119837790
5-[2-(methanesulfonamido)ethyl]-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 24643808

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide (CID 55461406) is 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide is Cc1ccc(C(CNS(=O)(=O)c2cc(Cl)sc2Cl)N2CCOCC2)o1.
What is the InChIKey of 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide?
The InChIKey is USIAGPKIKFVQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4S2/c1-10-2-3-12(23-10)11(19-4-6-22-7-5-19)9-18-25(20,21)13-8-14(16)24-15(13)17/h2-3,8,11,18H,4-7,9H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide has a molecular weight of 425.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 55461406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).