N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide

C15H21ClN2O3S — CID 110346034

IUPACN-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c16-14-7-5-6-13(12-14)15(19)17-8-11-22(20,21)18-9-3-1-2-4-10-18/h5-7,12H,1-4,8-11H2,(H,17,19)
InChIKeyXSGMLQSCJFLBOS-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.28
Rot. Bonds5

About N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide

N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide (PubChem CID 110346034) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
PubChem CID110346034
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC NameN-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide
SMILESO=C(NCCS(=O)(=O)N1CCCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O3S/c16-14-7-5-6-13(12-14)15(19)17-8-11-22(20,21)18-9-3-1-2-4-10-18/h5-7,12H,1-4,8-11H2,(H,17,19)
InChIKeyXSGMLQSCJFLBOS-UHFFFAOYSA-N
XLogP2.28
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-N-(2-piperidin-1-ylsulfonylethyl)benzamide
CID 110287574
3,4-difluoro-N-(2-pyrrolidin-1-ylsulfonylethyl)benzamide
CID 110345378
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-chloro-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 110823059
N-[2-(3-chlorophenyl)ethyl]-3-piperidin-1-ylsulfonylpropanamide
CID 110342653
3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
N-[2-(3-chlorophenoxy)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 55716591
N'-(3-chlorobenzoyl)-3-pyrrolidin-1-ylsulfonylbenzohydrazide
CID 7742373
N-[2-(azepan-1-ylsulfonyl)ethyl]-2-methylbenzamide
CID 110346004
1-[2-(azepan-1-ylsulfonyl)ethyl]-3-(4-chlorophenyl)urea
CID 110346031
3-chloro-N-(2-hydroxyethyl)benzamide
CID 2181761
N-[2-(4-ethylpiperazin-1-yl)sulfonylethyl]-3-fluorobenzamide
CID 42590095

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide?
The IUPAC name of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide (CID 110346034) is N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide?
The canonical SMILES for N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide is O=C(NCCS(=O)(=O)N1CCCCCC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide?
The InChIKey is XSGMLQSCJFLBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c16-14-7-5-6-13(12-14)15(19)17-8-11-22(20,21)18-9-3-1-2-4-10-18/h5-7,12H,1-4,8-11H2,(H,17,19).
What are the key properties of N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide?
N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide has a molecular weight of 344.86 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-ylsulfonyl)ethyl]-3-chlorobenzamide is sourced from PubChem (CID 110346034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).