2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

C16H25ClN3O3S+ — CID 7810608

IUPAC2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCCCCC2)ccc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-19(2)24(22,23)15-11-13(7-8-14(15)17)18-16(21)12-20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,21)/p+1
InChIKeyRREQXCYDSLMFGT-UHFFFAOYSA-O
MW374.91 g/mol
LogP0.99
Rot. Bonds5

About 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide

2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 7810608) has the molecular formula C16H25ClN3O3S+ and a molecular weight of 374.91 g/mol. Its IUPAC name is 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID7810608
Molecular FormulaC16H25ClN3O3S+
Molecular Weight374.91 g/mol
Exact Mass374.13
IUPAC Name2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCCCCC2)ccc1Cl
InChIInChI=1S/C16H24ClN3O3S/c1-19(2)24(22,23)15-11-13(7-8-14(15)17)18-16(21)12-20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,21)/p+1
InChIKeyRREQXCYDSLMFGT-UHFFFAOYSA-O
XLogP0.99
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 7810899
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-3,3-dimethylbutanamide
CID 9451643
2-(azepan-1-ium-1-yl)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 8895996
N-[3-chloro-4-[(2-piperidin-1-ium-1-ylacetyl)amino]phenyl]-2-piperidin-1-ium-1-ylacetamide
CID 7334246
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-phenylphenyl)acetamide
CID 4664996
(2R)-2-(azocan-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]propanamide
CID 9460403
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-pyrrolidin-1-ium-1-ylacetamide
CID 8902019
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908447
(2S)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)propanamide
CID 9250051
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908446
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-2-[1-(4-chlorophenyl)ethyl-methylamino]acetamide
CID 46573593
2-chloro-N-[3-chloro-4-(dimethylsulfamoyl)phenyl]acetamide
CID 172616646

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (CID 7810608) is 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)C[NH+]2CCCCCC2)ccc1Cl.
What is the InChIKey of 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is RREQXCYDSLMFGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H24ClN3O3S/c1-19(2)24(22,23)15-11-13(7-8-14(15)17)18-16(21)12-20-9-5-3-4-6-10-20/h7-8,11H,3-6,9-10,12H2,1-2H3,(H,18,21)/p+1.
What are the key properties of 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 374.91 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-ium-1-yl)-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 7810608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).