2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

C20H23Cl2N3O4S — CID 17474547

IUPAC2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O4S/c21-15-11-16(22)19(30(27,28)24-13-5-6-13)10-14(15)20(26)23-12-17(18-4-3-9-29-18)25-7-1-2-8-25/h3-4,9-11,13,17,24H,1-2,5-8,12H2,(H,23,26)
InChIKeyHUTBNRTYEDZIDG-UHFFFAOYSA-N
MW472.39 g/mol
LogP3.59
Rot. Bonds8

About 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide

2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (PubChem CID 17474547) has the molecular formula C20H23Cl2N3O4S and a molecular weight of 472.39 g/mol. Its IUPAC name is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
PubChem CID17474547
Molecular FormulaC20H23Cl2N3O4S
Molecular Weight472.39 g/mol
Exact Mass471.08
IUPAC Name2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
SMILESO=C(NCC(c1ccco1)N1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl
InChIInChI=1S/C20H23Cl2N3O4S/c21-15-11-16(22)19(30(27,28)24-13-5-6-13)10-14(15)20(26)23-12-17(18-4-3-9-29-18)25-7-1-2-8-25/h3-4,9-11,13,17,24H,1-2,5-8,12H2,(H,23,26)
InChIKeyHUTBNRTYEDZIDG-UHFFFAOYSA-N
XLogP3.59
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dichloro-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40752685
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-2,4-dichlorobenzamide
CID 112503384
2,4-dichloro-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]benzamide
CID 18161350
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55330211
2-chloro-5-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 40860527
3,4-dichloro-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 7972696
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 55985999
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4877480
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 7780302
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylbenzamide
CID 43842816
4-chloro-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 40844556

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The IUPAC name of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide (CID 17474547) is 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The canonical SMILES for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is O=C(NCC(c1ccco1)N1CCCC1)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
The InChIKey is HUTBNRTYEDZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O4S/c21-15-11-16(22)19(30(27,28)24-13-5-6-13)10-14(15)20(26)23-12-17(18-4-3-9-29-18)25-7-1-2-8-25/h3-4,9-11,13,17,24H,1-2,5-8,12H2,(H,23,26).
What are the key properties of 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide?
2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide has a molecular weight of 472.39 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide is sourced from PubChem (CID 17474547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).