N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide

C19H30ClN3O3S — CID 46387530

IUPACN-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCCCC2)c1
InChIInChI=1S/C19H30ClN3O3S/c1-3-23(4-2)27(25,26)16-9-10-18(20)17(15-16)19(24)21-11-14-22-12-7-5-6-8-13-22/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,24)
InChIKeyVGFAPCCSSKDYDC-UHFFFAOYSA-N
MW415.99 g/mol
LogP2.98
Rot. Bonds8

About N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide

N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide (PubChem CID 46387530) has the molecular formula C19H30ClN3O3S and a molecular weight of 415.99 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
PubChem CID46387530
Molecular FormulaC19H30ClN3O3S
Molecular Weight415.99 g/mol
Exact Mass415.17
IUPAC NameN-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCCCC2)c1
InChIInChI=1S/C19H30ClN3O3S/c1-3-23(4-2)27(25,26)16-9-10-18(20)17(15-16)19(24)21-11-14-22-12-7-5-6-8-13-22/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,24)
InChIKeyVGFAPCCSSKDYDC-UHFFFAOYSA-N
XLogP2.98
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803113
2-chloro-5-(diethylsulfamoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 55364284
2-chloro-5-(diethylsulfamoyl)-N-[4-(2-pyrrolidin-1-ylethyl)phenyl]benzamide
CID 60575411
5-(azepan-1-ylsulfonyl)-2-chloro-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 46387509
2-chloro-N-[2-(2,6-dichlorophenyl)ethyl]-5-(diethylsulfamoyl)benzamide
CID 60566384
2-chloro-5-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 2677242
2-chloro-N-(2-pyrrolidin-1-ylethyl)-5-thiomorpholin-4-ylsulfonylbenzamide
CID 46387613
5-(diethylsulfamoyl)-2-fluoro-N-(2-morpholin-4-ylethyl)benzamide
CID 20967213
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
2-chloro-5-(diethylsulfamoyl)-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394125
4-chloro-N,N-diethyl-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 78774378
2-chloro-5-(diethylsulfamoyl)-N-(4-methoxybutyl)benzamide
CID 55716614

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide (CID 46387530) is N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCN2CCCCCC2)c1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
The InChIKey is VGFAPCCSSKDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O3S/c1-3-23(4-2)27(25,26)16-9-10-18(20)17(15-16)19(24)21-11-14-22-12-7-5-6-8-13-22/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide?
N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide has a molecular weight of 415.99 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-2-chloro-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 46387530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).