2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone

C14H19ClN2O3S — CID 81185661

IUPAC2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
SMILESNc1cccc(Cl)c1S(=O)(=O)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-11-6-5-7-12(16)14(11)21(19,20)10-13(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,16H2
InChIKeyNHFOKFZADZVWAF-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.10
Rot. Bonds3

About 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone

2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone (PubChem CID 81185661) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
PubChem CID81185661
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC Name2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
SMILESNc1cccc(Cl)c1S(=O)(=O)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H19ClN2O3S/c15-11-6-5-7-12(16)14(11)21(19,20)10-13(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,16H2
InChIKeyNHFOKFZADZVWAF-UHFFFAOYSA-N
XLogP2.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,6-dichlorophenyl)sulfonylacetyl]piperidin-4-one
CID 64635390
2-(2-amino-4-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81175594
2-(2-amino-5-chlorophenyl)sulfonyl-1-piperidin-1-ylethanone
CID 81180590
2-(2-amino-6-chlorophenyl)sulfonyl-1-piperidin-1-ylpropan-1-one
CID 81185324
3-chloro-2-(cyclopentylmethylsulfonyl)aniline
CID 81185150
2-amino-6-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzamide
CID 70334221
1-(azepan-1-yl)-2-(2,6-dichlorophenyl)sulfanylethanone
CID 112778036
2-(4-methylphenyl)sulfonyl-1-piperidin-1-ylethanone
CID 56731899
2-(2-amino-6-chlorophenyl)sulfonyl-N-pentan-2-ylacetamide
CID 81185379
2-amino-1-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119270072
3-chloro-2-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)aniline
CID 81185321
2-(4-amino-2-fluorophenyl)sulfonyl-1-(azepan-1-yl)ethanone
CID 81185010

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone (CID 81185661) is 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone is Nc1cccc(Cl)c1S(=O)(=O)CC(=O)N1CCCCCC1.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone?
The InChIKey is NHFOKFZADZVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c15-11-6-5-7-12(16)14(11)21(19,20)10-13(18)17-8-3-1-2-4-9-17/h5-7H,1-4,8-10,16H2.
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone?
2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone has a molecular weight of 330.84 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfonyl-1-(azepan-1-yl)ethanone is sourced from PubChem (CID 81185661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).