aniline;N-phenylmethanesulfonamide

C13H16N2O2S — CID 157318284

IUPACaniline;N-phenylmethanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/C7H9NO2S.C6H7N/c1-11(9,10)8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6,8H,1H3;1-5H,7H2
InChIKeyBDWAVHKKMAWPFW-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.33
Rot. Bonds2

About aniline;N-phenylmethanesulfonamide

aniline;N-phenylmethanesulfonamide (PubChem CID 157318284) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is aniline;N-phenylmethanesulfonamide.

Molecular Properties

Compound Nameaniline;N-phenylmethanesulfonamide
PubChem CID157318284
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Nameaniline;N-phenylmethanesulfonamide
SMILESCS(=O)(=O)Nc1ccccc1.Nc1ccccc1
InChIInChI=1S/C7H9NO2S.C6H7N/c1-11(9,10)8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6,8H,1H3;1-5H,7H2
InChIKeyBDWAVHKKMAWPFW-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 23176875
CID 23176875
diazene;ethane;N-phenylmethanesulfonamide
CID 164925961
1-(4-aminophenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875138
N-[4-(N-phenylanilino)phenyl]methanesulfonamide
CID 20654643
benzene;(sulfamoylamino)benzene
CID 174742453
3-bromoaniline;N-(3-bromophenyl)methanesulfonamide;methanesulfonyl chloride
CID 159407379
N-(3-acetylphenyl)methanesulfonamide;1-(3-aminophenyl)ethanone
CID 157447458
3-fluoroaniline;N-(3-fluorophenyl)methanesulfonamide;methane;methanesulfonyl chloride
CID 158930994
aniline;benzene;ethane;iodomethane
CID 161231070
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
methane;methanesulfonyl chloride;3-methoxyaniline;N-(3-methoxyphenyl)methanesulfonamide
CID 159081432
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494

Frequently Asked Questions

What is the IUPAC name of aniline;N-phenylmethanesulfonamide?
The IUPAC name of aniline;N-phenylmethanesulfonamide (CID 157318284) is aniline;N-phenylmethanesulfonamide.
What is the SMILES notation for aniline;N-phenylmethanesulfonamide?
The canonical SMILES for aniline;N-phenylmethanesulfonamide is CS(=O)(=O)Nc1ccccc1.Nc1ccccc1.
What is the InChIKey of aniline;N-phenylmethanesulfonamide?
The InChIKey is BDWAVHKKMAWPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S.C6H7N/c1-11(9,10)8-7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6,8H,1H3;1-5H,7H2.
What are the key properties of aniline;N-phenylmethanesulfonamide?
aniline;N-phenylmethanesulfonamide has a molecular weight of 264.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;N-phenylmethanesulfonamide is sourced from PubChem (CID 157318284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).