4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide

C24H27ClN2O3S — CID 55864858

IUPAC4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C24H27ClN2O3S/c25-21-12-8-18(16-23(21)31(29,30)26-14-4-1-5-15-26)24(28)27(19-10-11-19)22-13-9-17-6-2-3-7-20(17)22/h2-3,6-8,12,16,19,22H,1,4-5,9-11,13-15H2
InChIKeyTYHWCWFEWIKXKT-UHFFFAOYSA-N
MW459.01 g/mol
LogP4.81
Rot. Bonds5

About 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide

4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 55864858) has the molecular formula C24H27ClN2O3S and a molecular weight of 459.01 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide
PubChem CID55864858
Molecular FormulaC24H27ClN2O3S
Molecular Weight459.01 g/mol
Exact Mass458.14
IUPAC Name4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N(C1CC1)C1CCc2ccccc21
InChIInChI=1S/C24H27ClN2O3S/c25-21-12-8-18(16-23(21)31(29,30)26-14-4-1-5-15-26)24(28)27(19-10-11-19)22-13-9-17-6-2-3-7-20(17)22/h2-3,6-8,12,16,19,22H,1,4-5,9-11,13-15H2
InChIKeyTYHWCWFEWIKXKT-UHFFFAOYSA-N
XLogP4.81
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.01
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55864478
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55864986
4-chloro-N-cyclohexyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 27670624
4-chloro-N-cyclohexyl-N-cyclopropyl-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55587399
4-chloro-N-ethyl-N-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 134057878
4-chloro-N,N-diethyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25247053
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate
CID 2513668
3-amino-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzamide;hydrochloride
CID 119742632
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methylsulfinylbenzamide
CID 56822012
N-cyclopropyl-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 94812762
4-(cyclopropanecarbonylamino)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)benzamide
CID 71885135
(4-chloro-3-piperidin-1-ylsulfonylphenyl)-(2-cyclohexylpyrrolidin-1-yl)methanone
CID 47063019

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide (CID 55864858) is 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N(C1CC1)C1CCc2ccccc21.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is TYHWCWFEWIKXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3S/c25-21-12-8-18(16-23(21)31(29,30)26-14-4-1-5-15-26)24(28)27(19-10-11-19)22-13-9-17-6-2-3-7-20(17)22/h2-3,6-8,12,16,19,22H,1,4-5,9-11,13-15H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide?
4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 459.01 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55864858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).