N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide

C18H24N2O2S — CID 25037551

IUPACN-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CNCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-15-9-11-17(12-10-15)23(21,22)20-18(2,3)14-19-13-16-7-5-4-6-8-16/h4-12,19-20H,13-14H2,1-3H3
InChIKeyFRWFNJMQORJSDI-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide

N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 25037551) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
PubChem CID25037551
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC(C)(C)CNCc2ccccc2)cc1
InChIInChI=1S/C18H24N2O2S/c1-15-9-11-17(12-10-15)23(21,22)20-18(2,3)14-19-13-16-7-5-4-6-8-16/h4-12,19-20H,13-14H2,1-3H3
InChIKeyFRWFNJMQORJSDI-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 119975374
1-N-benzyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847859
N-(1-methoxy-2-methylpropan-2-yl)-4-methylbenzenesulfonamide
CID 869818
4-[(benzylamino)methyl]-N-methylbenzenesulfonamide
CID 139319386
N-[6-(benzylamino)pyridazin-3-yl]-4-methylbenzenesulfonamide
CID 16942022
N-tert-butyl-4-methylbenzenesulfonamide;ethane
CID 143460137
4-methyl-N-(2-methylheptan-2-yl)benzenesulfonamide
CID 86230028
4-methyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)benzenesulfonamide
CID 75458388
4-methyl-N-[2-(4-methylphenyl)-1-oxopropan-2-yl]benzenesulfonamide
CID 101403953
4-methyl-N-(1-nitro-2-phenylpropan-2-yl)benzenesulfonamide
CID 135011413
N-[(1S)-1-hydroxy-1-phenylpropyl]-4-methylbenzenesulfonamide
CID 21032380
N-[(4-methylphenyl)methylsulfamoyl]-1-phenylmethanamine
CID 1488551

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide (CID 25037551) is N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC(C)(C)CNCc2ccccc2)cc1.
What is the InChIKey of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is FRWFNJMQORJSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-15-9-11-17(12-10-15)23(21,22)20-18(2,3)14-19-13-16-7-5-4-6-8-16/h4-12,19-20H,13-14H2,1-3H3.
What are the key properties of N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide?
N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzylamino)-2-methylpropan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 25037551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).