2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide

C22H34ClN3O3S — CID 92882504

IUPAC2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C22H34ClN3O3S/c1-2-18-9-4-7-13-25(18)14-8-12-24-22(27)20-17-19(10-11-21(20)23)30(28,29)26-15-5-3-6-16-26/h10-11,17-18H,2-9,12-16H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyCASCXLRMHMMJAT-GOSISDBHSA-N
MW456.05 g/mol
LogP3.90
Rot. Bonds8

About 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide

2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide (PubChem CID 92882504) has the molecular formula C22H34ClN3O3S and a molecular weight of 456.05 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
PubChem CID92882504
Molecular FormulaC22H34ClN3O3S
Molecular Weight456.05 g/mol
Exact Mass455.20
IUPAC Name2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide
SMILESCC[C@@H]1CCCCN1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
InChIInChI=1S/C22H34ClN3O3S/c1-2-18-9-4-7-13-25(18)14-8-12-24-22(27)20-17-19(10-11-21(20)23)30(28,29)26-15-5-3-6-16-26/h10-11,17-18H,2-9,12-16H2,1H3,(H,24,27)/t18-/m1/s1
InChIKeyCASCXLRMHMMJAT-GOSISDBHSA-N
XLogP3.90
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.05
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-(3-hydroxypropyl)-5-piperidin-1-ylsulfonylbenzamide
CID 78795839
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969125
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-piperidin-1-ylsulfonylbenzamide
CID 46387433
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 92677554
2-chloro-N-[3-(3-methylpiperidin-1-yl)propyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 42961781
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
3-chloro-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-4-(methanesulfonamido)benzamide
CID 28577865
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
3-chloro-N-[3-(2-ethylpiperidin-1-yl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43876108

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide (CID 92882504) is 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide is CC[C@@H]1CCCCN1CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide?
The InChIKey is CASCXLRMHMMJAT-GOSISDBHSA-N. The full InChI is InChI=1S/C22H34ClN3O3S/c1-2-18-9-4-7-13-25(18)14-8-12-24-22(27)20-17-19(10-11-21(20)23)30(28,29)26-15-5-3-6-16-26/h10-11,17-18H,2-9,12-16H2,1H3,(H,24,27)/t18-/m1/s1.
What are the key properties of 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide?
2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide has a molecular weight of 456.05 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-5-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 92882504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).