2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

C22H25ClN2O4S — CID 55563879

IUPAC2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H25ClN2O4S/c23-21-11-10-19(30(27,28)25-12-3-4-13-25)15-20(21)22(26)24-16-6-5-9-18(14-16)29-17-7-1-2-8-17/h5-6,9-11,14-15,17H,1-4,7-8,12-13H2,(H,24,26)
InChIKeyCRZXUFWGXYZUKA-UHFFFAOYSA-N
MW448.97 g/mol
LogP4.70
Rot. Bonds6

About 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55563879) has the molecular formula C22H25ClN2O4S and a molecular weight of 448.97 g/mol. Its IUPAC name is 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55563879
Molecular FormulaC22H25ClN2O4S
Molecular Weight448.97 g/mol
Exact Mass448.12
IUPAC Name2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1cccc(OC2CCCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
InChIInChI=1S/C22H25ClN2O4S/c23-21-11-10-19(30(27,28)25-12-3-4-13-25)15-20(21)22(26)24-16-6-5-9-18(14-16)29-17-7-1-2-8-17/h5-6,9-11,14-15,17H,1-4,7-8,12-13H2,(H,24,26)
InChIKeyCRZXUFWGXYZUKA-UHFFFAOYSA-N
XLogP4.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(4-cyclopentyloxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 46570003
2-chloro-N-(3-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26914552
2-chloro-N-(3-methoxyphenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26914652
2-chloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 50944725
2-chloro-N-(3-methylphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9341600
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
2-chloro-N-(3-nitrophenyl)-5-piperidin-1-ylsulfonylbenzamide
CID 1381657
methyl 2-chloro-5-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoate
CID 38238302
2,3-dichloro-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 42991910
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 26822918
N-(4-benzamidophenyl)-2-chloro-5-piperidin-1-ylsulfonylbenzamide
CID 1240122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55563879) is 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is O=C(Nc1cccc(OC2CCCC2)c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is CRZXUFWGXYZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4S/c23-21-11-10-19(30(27,28)25-12-3-4-13-25)15-20(21)22(26)24-16-6-5-9-18(14-16)29-17-7-1-2-8-17/h5-6,9-11,14-15,17H,1-4,7-8,12-13H2,(H,24,26).
What are the key properties of 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 448.97 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-cyclopentyloxyphenyl)-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55563879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).