5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide

C15H21ClN2O3S — CID 26500757

IUPAC5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-17(2)22(20,21)14-11-12(7-8-13(14)16)15(19)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyXGFRRNMVWJZTPS-UHFFFAOYSA-N
MW344.86 g/mol
LogP2.61
Rot. Bonds3

About 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide

5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide (PubChem CID 26500757) has the molecular formula C15H21ClN2O3S and a molecular weight of 344.86 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
PubChem CID26500757
Molecular FormulaC15H21ClN2O3S
Molecular Weight344.86 g/mol
Exact Mass344.10
IUPAC Name5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl
InChIInChI=1S/C15H21ClN2O3S/c1-17(2)22(20,21)14-11-12(7-8-13(14)16)15(19)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyXGFRRNMVWJZTPS-UHFFFAOYSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.86
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(4-chlorophenyl)-N-methyl-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 2460524
ethyl 1-[4-chloro-3-(dimethylsulfamoyl)benzoyl]piperidine-3-carboxylate
CID 46418772
2-chloro-N,N-diethyl-5-[4-(piperidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55340217
2-chloro-N,N-dimethyl-5-[3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]benzenesulfonamide
CID 56532831
5-(azepane-1-carbonyl)-2-chloro-N-(4-methylphenyl)benzenesulfonamide
CID 1266192
azocan-1-yl-(3-chloro-4-iodophenyl)methanone
CID 103221109
2-chloro-5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 51147451
2-bromo-N,N-dimethyl-5-(4-methyl-1,4-diazepane-1-carbonyl)benzenesulfonamide
CID 78769697
2-chloro-N,N-dimethyl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 25490824
[1-(4-chloro-3-piperidin-1-ylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55469270
2-chloro-5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-N,N-diethylbenzenesulfonamide
CID 32651732
2-chloro-N-(4-fluorophenyl)-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 24539688

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide (CID 26500757) is 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)N2CCCCCC2)ccc1Cl.
What is the InChIKey of 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide?
The InChIKey is XGFRRNMVWJZTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3S/c1-17(2)22(20,21)14-11-12(7-8-13(14)16)15(19)18-9-5-3-4-6-10-18/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide?
5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide has a molecular weight of 344.86 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-2-chloro-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 26500757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).