N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C20H23ClN2O3S — CID 100681854

IUPACN-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-18-9-5-16(6-10-18)4-3-13-22-20(24)17-7-11-19(12-8-17)27(25,26)23-14-1-2-15-23/h5-12H,1-4,13-15H2,(H,22,24)
InChIKeyLHQZNSVWYKXXQM-UHFFFAOYSA-N
MW406.94 g/mol
LogP3.49
Rot. Bonds7

About N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 100681854) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID100681854
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC NameN-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23ClN2O3S/c21-18-9-5-16(6-10-18)4-3-13-22-20(24)17-7-11-19(12-8-17)27(25,26)23-14-1-2-15-23/h5-12H,1-4,13-15H2,(H,22,24)
InChIKeyLHQZNSVWYKXXQM-UHFFFAOYSA-N
XLogP3.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 4289503
4-(azepan-1-ylsulfonyl)-N-[2-[(4-chlorobenzoyl)amino]ethyl]benzamide
CID 34991413
N-[3-(3,4-dimethoxyphenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 95091650
N-[3-(1,2-oxazol-4-yl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 91814425
4-methyl-N-[2-(4-piperidin-1-ylsulfonylphenyl)ethyl]benzamide
CID 30125482
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]benzamide
CID 108736469
N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]-4-tert-butylbenzamide
CID 108736462
4-chloro-N-[2-(4-chlorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 92532196
N-(2-phenylethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 20973683
4-(azepan-1-ylsulfonyl)-N-hexylbenzamide
CID 8886320
methyl 4-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoate
CID 8698092
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 100681854) is N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCCc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is LHQZNSVWYKXXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c21-18-9-5-16(6-10-18)4-3-13-22-20(24)17-7-11-19(12-8-17)27(25,26)23-14-1-2-15-23/h5-12H,1-4,13-15H2,(H,22,24).
What are the key properties of N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 406.94 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)propyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 100681854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).