N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

C15H22N2O3S — CID 51089554

IUPACN-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H22N2O3S/c1-13(15(18)17-11-7-2-3-8-12-17)16-21(19,20)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3/t13-/m0/s1
InChIKeyZJWZKMYVMADGCM-ZDUSSCGKSA-N
MW310.42 g/mol
LogP1.76
Rot. Bonds4

About N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 51089554) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID51089554
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCCCC1
InChIInChI=1S/C15H22N2O3S/c1-13(15(18)17-11-7-2-3-8-12-17)16-21(19,20)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3/t13-/m0/s1
InChIKeyZJWZKMYVMADGCM-ZDUSSCGKSA-N
XLogP1.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 55935432
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(benzenesulfonamido)propanoate
CID 55935697
4-fluoro-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 93417335
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95276198
3-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94217942
4-ethyl-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94654828
3-acetyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097875
N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 51969222
N-[(2S)-1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55935351
N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 4037453
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 51089554) is N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCCCC1.
What is the InChIKey of N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is ZJWZKMYVMADGCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-13(15(18)17-11-7-2-3-8-12-17)16-21(19,20)14-9-5-4-6-10-14/h4-6,9-10,13,16H,2-3,7-8,11-12H2,1H3/t13-/m0/s1.
What are the key properties of N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 310.42 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 51089554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).