1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene

C16H15NO3S — CID 59928700

IUPAC1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene
SMILESO=C(c1cccc(NS(=O)Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C16H15NO3S/c18-16(12-9-10-12)13-5-4-6-14(11-13)17-21(19)20-15-7-2-1-3-8-15/h1-8,11-12,17H,9-10H2
InChIKeyBSBAAHWRKVYZGN-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.35
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene

1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene (PubChem CID 59928700) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene
PubChem CID59928700
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene
SMILESO=C(c1cccc(NS(=O)Oc2ccccc2)c1)C1CC1
InChIInChI=1S/C16H15NO3S/c18-16(12-9-10-12)13-5-4-6-14(11-13)17-21(19)20-15-7-2-1-3-8-15/h1-8,11-12,17H,9-10H2
InChIKeyBSBAAHWRKVYZGN-UHFFFAOYSA-N
XLogP3.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropanecarbonyl)phenyl]formamide
CID 146310044
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
cyclopentyl-[3-(methylamino)phenyl]methanone
CID 116917362
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
3-(cyclopropanecarbonylamino)-N-(4-phenoxyphenyl)benzamide
CID 34757379
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[4-(cyclopropanecarbonylamino)phenyl]-3-phenoxybenzamide
CID 25276057
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
phenyl N-[4-(cyclopropanecarbonyl)phenyl]carbamate
CID 110425242
cyclooctyl-(3-cyclopropyloxyphenyl)methanone
CID 114521228

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene?
The IUPAC name of 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene (CID 59928700) is 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene?
The canonical SMILES for 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene is O=C(c1cccc(NS(=O)Oc2ccccc2)c1)C1CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene?
The InChIKey is BSBAAHWRKVYZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-16(12-9-10-12)13-5-4-6-14(11-13)17-21(19)20-15-7-2-1-3-8-15/h1-8,11-12,17H,9-10H2.
What are the key properties of 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene?
1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene has a molecular weight of 301.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-3-(phenoxysulfinylamino)benzene is sourced from PubChem (CID 59928700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).