2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide

C23H30ClN3O3S — CID 24649835

IUPAC2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H30ClN3O3S/c1-3-26(4-2)22(18-10-6-5-7-11-18)17-25-23(28)20-16-19(12-13-21(20)24)31(29,30)27-14-8-9-15-27/h5-7,10-13,16,22H,3-4,8-9,14-15,17H2,1-2H3,(H,25,28)
InChIKeyZEXICDDINXVTRR-UHFFFAOYSA-N
MW464.03 g/mol
LogP3.94
Rot. Bonds9

About 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide

2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 24649835) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID24649835
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESCCN(CC)C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H30ClN3O3S/c1-3-26(4-2)22(18-10-6-5-7-11-18)17-25-23(28)20-16-19(12-13-21(20)24)31(29,30)27-14-8-9-15-27/h5-7,10-13,16,22H,3-4,8-9,14-15,17H2,1-2H3,(H,25,28)
InChIKeyZEXICDDINXVTRR-UHFFFAOYSA-N
XLogP3.94
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-chloro-N-[(1R)-1-phenylpropyl]benzamide
CID 94028099
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
N-(2-benzamidoethyl)-2-chloro-5-pyrrolidin-1-ylsulfonylbenzamide
CID 24660007
5-(azepan-1-ylsulfonyl)-2-chloro-N-propylbenzamide
CID 28590823
2-chloro-N-[(1R)-3-methyl-1-phenylbutyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 92681418
2-[[2-(diethylamino)-2-phenylethyl]amino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110829029
2-chloro-N-(2-phenylethyl)-5-piperidin-1-ylsulfonylbenzamide
CID 26534993
5-(azepan-1-ylsulfonyl)-N-butyl-2-chlorobenzamide
CID 28590824
2-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9301375
5-(azepan-1-ylsulfonyl)-2-chloro-N-(2-methoxyethyl)benzamide
CID 46387480
5-(azepan-1-ylsulfonyl)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 92882514
N-(2-anilino-2-oxoethyl)-2-chloro-N-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46415089

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 24649835) is 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide is CCN(CC)C(CNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is ZEXICDDINXVTRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-3-26(4-2)22(18-10-6-5-7-11-18)17-25-23(28)20-16-19(12-13-21(20)24)31(29,30)27-14-8-9-15-27/h5-7,10-13,16,22H,3-4,8-9,14-15,17H2,1-2H3,(H,25,28).
What are the key properties of 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 464.03 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(diethylamino)-2-phenylethyl]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 24649835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).