N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine

C15H18N2O2S — CID 1488551

IUPACN-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
SMILESCc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-13-7-9-15(10-8-13)12-17-20(18,19)16-11-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyTWNJBOJLUIYNAI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.12
Rot. Bonds6

About N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine

N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine (PubChem CID 1488551) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
PubChem CID1488551
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
SMILESCc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C15H18N2O2S/c1-13-7-9-15(10-8-13)12-17-20(18,19)16-11-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3
InChIKeyTWNJBOJLUIYNAI-UHFFFAOYSA-N
XLogP2.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxyphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1475423
N-(methylsulfamoyl)-1-phenylmethanamine
CID 20676291
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
N-(benzylsulfamoyl)butan-1-amine
CID 15569640
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfamoyl]-1-phenylmethanamine
CID 56916812
CID 70601747
CID 70601747
benzylsulfamic acid;ethane
CID 154691965
N-(benzylsulfamoyl)-2-ethoxyethanamine
CID 154495272
N-[(4-phenylphenyl)methyl]ethanesulfonamide
CID 110781116
N-benzyl-5-methylpyridine-2-sulfonamide
CID 46201274
N-[2-(4-methylphenyl)ethyl]-1-phenylmethanesulfonamide
CID 110787220

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine?
The IUPAC name of N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine (CID 1488551) is N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine?
The canonical SMILES for N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine is Cc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine?
The InChIKey is TWNJBOJLUIYNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-13-7-9-15(10-8-13)12-17-20(18,19)16-11-14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3.
What are the key properties of N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine?
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine has a molecular weight of 290.39 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine is sourced from PubChem (CID 1488551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).