3-chloro-N-methyl-5-nitrosobenzenesulfonamide

C7H7ClN2O3S — CID 89308424

IUPAC3-chloro-N-methyl-5-nitrosobenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)cc(N=O)c1
InChIInChI=1S/C7H7ClN2O3S/c1-9-14(12,13)7-3-5(8)2-6(4-7)10-11/h2-4,9H,1H3
InChIKeyCNRXMHIMFMAPFS-UHFFFAOYSA-N
MW234.66 g/mol
LogP1.65
Rot. Bonds3

About 3-chloro-N-methyl-5-nitrosobenzenesulfonamide

3-chloro-N-methyl-5-nitrosobenzenesulfonamide (PubChem CID 89308424) has the molecular formula C7H7ClN2O3S and a molecular weight of 234.66 g/mol. Its IUPAC name is 3-chloro-N-methyl-5-nitrosobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-methyl-5-nitrosobenzenesulfonamide
PubChem CID89308424
Molecular FormulaC7H7ClN2O3S
Molecular Weight234.66 g/mol
Exact Mass233.99
IUPAC Name3-chloro-N-methyl-5-nitrosobenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(Cl)cc(N=O)c1
InChIInChI=1S/C7H7ClN2O3S/c1-9-14(12,13)7-3-5(8)2-6(4-7)10-11/h2-4,9H,1H3
InChIKeyCNRXMHIMFMAPFS-UHFFFAOYSA-N
XLogP1.65
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-5-nitrosobenzenesulfonamide?
The IUPAC name of 3-chloro-N-methyl-5-nitrosobenzenesulfonamide (CID 89308424) is 3-chloro-N-methyl-5-nitrosobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-methyl-5-nitrosobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-methyl-5-nitrosobenzenesulfonamide is CNS(=O)(=O)c1cc(Cl)cc(N=O)c1.
What is the InChIKey of 3-chloro-N-methyl-5-nitrosobenzenesulfonamide?
The InChIKey is CNRXMHIMFMAPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3S/c1-9-14(12,13)7-3-5(8)2-6(4-7)10-11/h2-4,9H,1H3.
What are the key properties of 3-chloro-N-methyl-5-nitrosobenzenesulfonamide?
3-chloro-N-methyl-5-nitrosobenzenesulfonamide has a molecular weight of 234.66 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-5-nitrosobenzenesulfonamide is sourced from PubChem (CID 89308424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).