3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide

C16H20Cl2N2O4S — CID 178146238

IUPAC3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1CCCCN(S(=O)(=O)C2CC2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H20Cl2N2O4S/c17-10-7-13(15(21)14(18)8-10)16(22)19-11-3-1-2-6-20(9-11)25(23,24)12-4-5-12/h7-8,11-12,21H,1-6,9H2,(H,19,22)
InChIKeyQSSUWUVSXQHRJH-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.78
Rot. Bonds4

About 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide

3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide (PubChem CID 178146238) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
PubChem CID178146238
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC Name3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide
SMILESO=C(NC1CCCCN(S(=O)(=O)C2CC2)C1)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C16H20Cl2N2O4S/c17-10-7-13(15(21)14(18)8-10)16(22)19-11-3-1-2-6-20(9-11)25(23,24)12-4-5-12/h7-8,11-12,21H,1-6,9H2,(H,19,22)
InChIKeyQSSUWUVSXQHRJH-UHFFFAOYSA-N
XLogP2.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-N-cyclopentadecyl-2-hydroxybenzamide
CID 72547632
3,5-dichloro-N-[(1R,4R,5S)-2-cyclopropylsulfonyl-2-azabicyclo[2.2.1]heptan-5-yl]-2-hydroxybenzamide
CID 178146487
5-(azepan-1-ylsulfonyl)-2-chloro-N-cyclopentylbenzamide
CID 46387464
2-[4-[(3,5-dichloro-2-hydroxybenzoyl)amino]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 178146520
3,5-dichloro-2-hydroxy-N-[(3S)-1-imidazo[1,2-b]pyridazin-6-ylpyrrolidin-3-yl]benzamide
CID 144738035
N-(3-acetyl-3-azabicyclo[3.2.1]octan-8-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146375
propan-2-yl N-[(3S)-1-cyclopropylsulfonylazepan-3-yl]carbamate
CID 96582119
3,5-dichloro-N-[8-(2-cyclobutylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-hydroxybenzamide
CID 178146426
N-cyclopentyl-2-fluoro-5-piperidin-1-ylsulfonylbenzamide
CID 27261803
N-(9-acetyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-3,5-dichloro-2-hydroxybenzamide
CID 178146348
3,5-dichloro-N-[(3S)-1-(3-ethylimidazo[1,2-b]pyridazin-6-yl)pyrrolidin-3-yl]-2-hydroxybenzamide
CID 144738541
N-[1-(3,5-dichloro-2-hydroxyphenyl)sulfonylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 134091455

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide?
The IUPAC name of 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide (CID 178146238) is 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide.
What is the SMILES notation for 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide?
The canonical SMILES for 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide is O=C(NC1CCCCN(S(=O)(=O)C2CC2)C1)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide?
The InChIKey is QSSUWUVSXQHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c17-10-7-13(15(21)14(18)8-10)16(22)19-11-3-1-2-6-20(9-11)25(23,24)12-4-5-12/h7-8,11-12,21H,1-6,9H2,(H,19,22).
What are the key properties of 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide?
3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide has a molecular weight of 407.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(1-cyclopropylsulfonylazepan-3-yl)-2-hydroxybenzamide is sourced from PubChem (CID 178146238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).