methanesulfonamidomethyl(phenyl)carbamic acid

C9H12N2O4S — CID 89479428

IUPACmethanesulfonamidomethyl(phenyl)carbamic acid
SMILESCS(=O)(=O)NCN(C(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)10-7-11(9(12)13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13)
InChIKeyYJSYOWMDKMOYKK-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.68
Rot. Bonds4

About methanesulfonamidomethyl(phenyl)carbamic acid

methanesulfonamidomethyl(phenyl)carbamic acid (PubChem CID 89479428) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is methanesulfonamidomethyl(phenyl)carbamic acid.

Molecular Properties

Compound Namemethanesulfonamidomethyl(phenyl)carbamic acid
PubChem CID89479428
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Namemethanesulfonamidomethyl(phenyl)carbamic acid
SMILESCS(=O)(=O)NCN(C(=O)O)c1ccccc1
InChIInChI=1S/C9H12N2O4S/c1-16(14,15)10-7-11(9(12)13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13)
InChIKeyYJSYOWMDKMOYKK-UHFFFAOYSA-N
XLogP0.68
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl(phenyl)carbamic acid
CID 69165687
[(2S)-3-hydroxy-2-methylpropyl]-phenylcarbamic acid
CID 54211065
N,N'-diethyl-N,N'-diphenylpropanediamide
CID 14847934
N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide
CID 111543476
octyl(phenyl)carbamic acid
CID 54301990
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
ethylamino(phenyl)carbamic acid
CID 159582603
2-[N-(3-methylsulfonylpropanoyl)anilino]acetic acid
CID 60830479
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
CID 70601747
CID 70601747
3-(benzenesulfonamido)-N-ethyl-N-phenylpropanamide
CID 17225869
1,1-diphenyl-3-[(E)-3-phenylbut-2-en-2-yl]sulfonylurea
CID 22750964

Frequently Asked Questions

What is the IUPAC name of methanesulfonamidomethyl(phenyl)carbamic acid?
The IUPAC name of methanesulfonamidomethyl(phenyl)carbamic acid (CID 89479428) is methanesulfonamidomethyl(phenyl)carbamic acid.
What is the SMILES notation for methanesulfonamidomethyl(phenyl)carbamic acid?
The canonical SMILES for methanesulfonamidomethyl(phenyl)carbamic acid is CS(=O)(=O)NCN(C(=O)O)c1ccccc1.
What is the InChIKey of methanesulfonamidomethyl(phenyl)carbamic acid?
The InChIKey is YJSYOWMDKMOYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c1-16(14,15)10-7-11(9(12)13)8-5-3-2-4-6-8/h2-6,10H,7H2,1H3,(H,12,13).
What are the key properties of methanesulfonamidomethyl(phenyl)carbamic acid?
methanesulfonamidomethyl(phenyl)carbamic acid has a molecular weight of 244.27 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanesulfonamidomethyl(phenyl)carbamic acid is sourced from PubChem (CID 89479428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).