N-[(3-nitrosophenyl)methyl]methanesulfonamide

C8H10N2O3S — CID 123247228

IUPACN-[(3-nitrosophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(N=O)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)9-6-7-3-2-4-8(5-7)10-11/h2-5,9H,6H2,1H3
InChIKeyIWBDMMLSDKFEBD-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.13
Rot. Bonds4

About N-[(3-nitrosophenyl)methyl]methanesulfonamide

N-[(3-nitrosophenyl)methyl]methanesulfonamide (PubChem CID 123247228) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is N-[(3-nitrosophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3-nitrosophenyl)methyl]methanesulfonamide
PubChem CID123247228
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC NameN-[(3-nitrosophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)NCc1cccc(N=O)c1
InChIInChI=1S/C8H10N2O3S/c1-14(12,13)9-6-7-3-2-4-8(5-7)10-11/h2-5,9H,6H2,1H3
InChIKeyIWBDMMLSDKFEBD-UHFFFAOYSA-N
XLogP1.13
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-nitrosophenyl)methyl]ethanamine
CID 89069550
[3-(methanesulfonamidomethyl)phenyl]-methyl-oxoazanium
CID 123326478
CID 70601747
CID 70601747
1-[3-(methanesulfonamidomethyl)phenyl]-N-methylmethanesulfonamide
CID 49245759
molecular hydrogen;N-[(3-propan-2-ylphenyl)methyl]methanesulfonamide
CID 142425737
N-[(3-nitrophenyl)methyl]methanesulfonamide
CID 47454245
N-[[3-(cyclohexyloxymethyl)phenyl]methyl]methanesulfonamide
CID 56787557
N-(pyridin-1-ium-3-ylmethyl)methanesulfonamide chloride
CID 20787066
N-[[3-(5-cyanothiophen-2-yl)phenyl]methyl]methanesulfonamide
CID 56794323
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]methanesulfonamide
CID 47064950
N,N-dimethyl-2-(3-nitrosophenyl)ethanamine
CID 143527748
N-[3-(methanesulfonamidomethyl)phenyl]cyclopropanecarboxamide
CID 47134978

Frequently Asked Questions

What is the IUPAC name of N-[(3-nitrosophenyl)methyl]methanesulfonamide?
The IUPAC name of N-[(3-nitrosophenyl)methyl]methanesulfonamide (CID 123247228) is N-[(3-nitrosophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-[(3-nitrosophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-[(3-nitrosophenyl)methyl]methanesulfonamide is CS(=O)(=O)NCc1cccc(N=O)c1.
What is the InChIKey of N-[(3-nitrosophenyl)methyl]methanesulfonamide?
The InChIKey is IWBDMMLSDKFEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-14(12,13)9-6-7-3-2-4-8(5-7)10-11/h2-5,9H,6H2,1H3.
What are the key properties of N-[(3-nitrosophenyl)methyl]methanesulfonamide?
N-[(3-nitrosophenyl)methyl]methanesulfonamide has a molecular weight of 214.25 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-nitrosophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 123247228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).