2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride

C9H8ClNO4S — CID 82368538

IUPAC2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=[N+]([O-])c1cccc(C2CC2S(=O)(=O)Cl)c1
InChIInChI=1S/C9H8ClNO4S/c10-16(14,15)9-5-8(9)6-2-1-3-7(4-6)11(12)13/h1-4,8-9H,5H2
InChIKeyNTPVQLGWIVEVOK-UHFFFAOYSA-N
MW261.69 g/mol
LogP2.02
Rot. Bonds3

About 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride

2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride (PubChem CID 82368538) has the molecular formula C9H8ClNO4S and a molecular weight of 261.69 g/mol. Its IUPAC name is 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride
PubChem CID82368538
Molecular FormulaC9H8ClNO4S
Molecular Weight261.69 g/mol
Exact Mass260.99
IUPAC Name2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride
SMILESO=[N+]([O-])c1cccc(C2CC2S(=O)(=O)Cl)c1
InChIInChI=1S/C9H8ClNO4S/c10-16(14,15)9-5-8(9)6-2-1-3-7(4-6)11(12)13/h1-4,8-9H,5H2
InChIKeyNTPVQLGWIVEVOK-UHFFFAOYSA-N
XLogP2.02
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylsulfonylcyclopropyl)-3-nitrobenzene
CID 102548755
1-nitro-3-[2-(trifluoromethyl)cyclopropyl]benzene
CID 75985035
N,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81416951
cis-(1R,2S)-2-(3-nitrophenyl)cyclopropane-1-carbohydrazide
CID 139349738
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
(3-nitrophenyl)cycloheptane
CID 142001294
2,2-dimethyl-3-(3-nitrophenyl)cyclobutan-1-amine
CID 81415405
2-(3-nitrophenyl)-1,3-dioxole
CID 141349380
1-[(1R,2S)-2-methyl-2-phenylcyclopropyl]-3-nitrobenzene
CID 134969429
4-methyl-6-(3-nitrophenyl)-1,3-diazinane-2-thione
CID 74604471
(3R,4S)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972023
8-(3-nitrophenyl)-6-azaspiro[2.5]octane
CID 175957530

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride (CID 82368538) is 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride is O=[N+]([O-])c1cccc(C2CC2S(=O)(=O)Cl)c1.
What is the InChIKey of 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is NTPVQLGWIVEVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClNO4S/c10-16(14,15)9-5-8(9)6-2-1-3-7(4-6)11(12)13/h1-4,8-9H,5H2.
What are the key properties of 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride?
2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 261.69 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 82368538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).