(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide

C16H23ClN2O3S — CID 51122843

IUPAC(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-12(16(20)18-14-6-4-2-3-5-7-14)19-23(21,22)15-10-8-13(17)9-11-15/h8-12,14,19H,2-7H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyQLBNHLUBELEHBR-LBPRGKRZSA-N
MW358.89 g/mol
LogP2.85
Rot. Bonds5

About (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide (PubChem CID 51122843) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
PubChem CID51122843
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1
InChIInChI=1S/C16H23ClN2O3S/c1-12(16(20)18-14-6-4-2-3-5-7-14)19-23(21,22)15-10-8-13(17)9-11-15/h8-12,14,19H,2-7H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyQLBNHLUBELEHBR-LBPRGKRZSA-N
XLogP2.85
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonylamino]-N-cycloheptylpropanamide
CID 2955440
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentylpropanamide
CID 40746707
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602559
N-[3-(aminomethyl)cyclobutyl]-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 154872445
N-(1-benzylpiperidin-4-yl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 42696611
2-[(4-bromophenyl)sulfonylamino]-N-cyclopropylpropanamide
CID 5025044
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
[2-(cycloheptylamino)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 40917950
N-cyclopentyl-2-[(2,4-difluorophenyl)sulfonylamino]propanamide
CID 51097293
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (2S)-2-[(4-chlorophenyl)sulfonylamino]propanoate
CID 8841947
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide?
The IUPAC name of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide (CID 51122843) is (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide.
What is the SMILES notation for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide?
The canonical SMILES for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1.
What is the InChIKey of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide?
The InChIKey is QLBNHLUBELEHBR-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-12(16(20)18-14-6-4-2-3-5-7-14)19-23(21,22)15-10-8-13(17)9-11-15/h8-12,14,19H,2-7H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide?
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide has a molecular weight of 358.89 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cycloheptylpropanamide is sourced from PubChem (CID 51122843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).