N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide

C19H21ClN2O3S — CID 99791163

IUPACN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C19H21ClN2O3S/c1-13(18-11-8-15(20)12-21-18)22-19(23)14-6-9-17(10-7-14)26(24,25)16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyBWPTVCQGYOJCEJ-ZDUSSCGKSA-N
MW392.91 g/mol
LogP3.94
Rot. Bonds5

About N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide

N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide (PubChem CID 99791163) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide
PubChem CID99791163
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC NameN-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide
SMILESC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cn1
InChIInChI=1S/C19H21ClN2O3S/c1-13(18-11-8-15(20)12-21-18)22-19(23)14-6-9-17(10-7-14)26(24,25)16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,22,23)/t13-/m0/s1
InChIKeyBWPTVCQGYOJCEJ-ZDUSSCGKSA-N
XLogP3.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]pyridine-3-carboxamide
CID 155965739
4-cyclopentylsulfonyl-N-(1-methylcyclohexyl)benzamide
CID 100665401
4-tert-butyl-N-[3-[[(1R)-1-(5-chloro-2-pyridinyl)ethyl]amino]-3-oxopropyl]benzamide
CID 100685171
4-cyclopentylsulfonyl-N-[(2R)-2-(ethylamino)propyl]benzamide;hydrochloride
CID 120651710
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
4-cycloheptylsulfonylbenzoic acid
CID 82925823
N-(1-amino-2-methylpropan-2-yl)-4-cyclopentylsulfonylbenzamide
CID 119523127
N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 91651554
trans-(1S,2S)-N-[(1R)-1-(5-chloro-2-pyridinyl)ethyl]-2-(2,4-dichlorophenyl)cyclopropane-1-carboxamide
CID 99791149
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-chloro-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 40585280
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide?
The IUPAC name of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide (CID 99791163) is N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide.
What is the SMILES notation for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide?
The canonical SMILES for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide is C[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccc(Cl)cn1.
What is the InChIKey of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide?
The InChIKey is BWPTVCQGYOJCEJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13(18-11-8-15(20)12-21-18)22-19(23)14-6-9-17(10-7-14)26(24,25)16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,22,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide?
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide has a molecular weight of 392.91 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-4-cyclopentylsulfonylbenzamide is sourced from PubChem (CID 99791163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).