3-nitrobenzenesulfinyl chloride

C6H4ClNO3S — CID 58597650

IUPAC3-nitrobenzenesulfinyl chloride
SMILESO=[N+]([O-])c1cccc(S(=O)Cl)c1
InChIInChI=1S/C6H4ClNO3S/c7-12(11)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKeyRCVPQFZNIDSZEO-UHFFFAOYSA-N
MW205.62 g/mol
LogP1.86
Rot. Bonds2

About 3-nitrobenzenesulfinyl chloride

3-nitrobenzenesulfinyl chloride (PubChem CID 58597650) has the molecular formula C6H4ClNO3S and a molecular weight of 205.62 g/mol. Its IUPAC name is 3-nitrobenzenesulfinyl chloride.

Molecular Properties

Compound Name3-nitrobenzenesulfinyl chloride
PubChem CID58597650
Molecular FormulaC6H4ClNO3S
Molecular Weight205.62 g/mol
Exact Mass204.96
IUPAC Name3-nitrobenzenesulfinyl chloride
SMILESO=[N+]([O-])c1cccc(S(=O)Cl)c1
InChIInChI=1S/C6H4ClNO3S/c7-12(11)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKeyRCVPQFZNIDSZEO-UHFFFAOYSA-N
XLogP1.86
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.62
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-nitro-3-(3-nitrophenyl)sulfinylsulfinylbenzene
CID 154099704
1-[(R)-difluoromethylsulfinyl]-3-nitrobenzene
CID 35581101
CID 174796132
CID 174796132
2,4-dinitro-1-(3-nitrophenyl)sulfinylbenzene
CID 154146462
1-fluoro-3-nitrobenzene;sulfur trioxide
CID 167661335
(3-nitrophenyl)phosphane
CID 101369545
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-methyl-3-nitrobenzene
CID 7422
oxiran-2-ylmethyl 3-nitrobenzenesulfinate
CID 142598067
CID 70927123
CID 70927123
1-nitro-3-(sulfinatoamino)benzene
CID 57069908
N,N-dichloro-3-nitroaniline
CID 119097534

Frequently Asked Questions

What is the IUPAC name of 3-nitrobenzenesulfinyl chloride?
The IUPAC name of 3-nitrobenzenesulfinyl chloride (CID 58597650) is 3-nitrobenzenesulfinyl chloride.
What is the SMILES notation for 3-nitrobenzenesulfinyl chloride?
The canonical SMILES for 3-nitrobenzenesulfinyl chloride is O=[N+]([O-])c1cccc(S(=O)Cl)c1.
What is the InChIKey of 3-nitrobenzenesulfinyl chloride?
The InChIKey is RCVPQFZNIDSZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClNO3S/c7-12(11)6-3-1-2-5(4-6)8(9)10/h1-4H.
What are the key properties of 3-nitrobenzenesulfinyl chloride?
3-nitrobenzenesulfinyl chloride has a molecular weight of 205.62 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrobenzenesulfinyl chloride is sourced from PubChem (CID 58597650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).