4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide

C17H26N2O4S — CID 9314889

IUPAC4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-14(13-23-2)18-24(21,22)16-9-7-15(8-10-16)17(20)19-11-5-3-4-6-12-19/h7-10,14,18H,3-6,11-13H2,1-2H3/t14-/m1/s1
InChIKeyIFHZOFVMJNXFRE-CQSZACIVSA-N
MW354.47 g/mol
LogP2.02
Rot. Bonds6

About 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide

4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide (PubChem CID 9314889) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
PubChem CID9314889
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC Name4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide
SMILESCOC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O4S/c1-14(13-23-2)18-24(21,22)16-9-7-15(8-10-16)17(20)19-11-5-3-4-6-12-19/h7-10,14,18H,3-6,11-13H2,1-2H3/t14-/m1/s1
InChIKeyIFHZOFVMJNXFRE-CQSZACIVSA-N
XLogP2.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 40769366
N-(1-phenylethyl)-4-(piperidine-1-carbonyl)benzenesulfonamide
CID 109059411
N-(2-methylpropyl)-4-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 109058905
[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 4-[[(2S)-butan-2-yl]sulfamoyl]benzoate
CID 8954915
N-[(2R)-1-methoxypropan-2-yl]-4-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzenesulfonamide
CID 8949553
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
4-(azepane-1-carbonyl)-N-prop-2-ynylbenzenesulfonamide
CID 17466659
1-[4-(propan-2-ylsulfamoyl)benzoyl]piperidine-4-carboxylic acid
CID 45341309
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-butan-2-yl-4-[4-(3-cyclohexylpropanoyl)piperazine-1-carbonyl]benzenesulfonamide
CID 55915941
cyanomethyl 4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]benzoate
CID 41143254
4-(1,4-diazepane-1-carbonyl)-N-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119417843

Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide (CID 9314889) is 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide is COC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
The InChIKey is IFHZOFVMJNXFRE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-14(13-23-2)18-24(21,22)16-9-7-15(8-10-16)17(20)19-11-5-3-4-6-12-19/h7-10,14,18H,3-6,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide?
4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide has a molecular weight of 354.47 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-N-[(2R)-1-methoxypropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 9314889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).