4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide

C16H20N2O2S — CID 29045454

IUPAC4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)15-5-3-4-6-16(15)18-21(19,20)14-9-7-13(11-17)8-10-14/h3-10,12,18H,11,17H2,1-2H3
InChIKeyHRVMEJUANICMCH-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.07
Rot. Bonds5

About 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide

4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 29045454) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
PubChem CID29045454
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
SMILESCC(C)c1ccccc1NS(=O)(=O)c1ccc(CN)cc1
InChIInChI=1S/C16H20N2O2S/c1-12(2)15-5-3-4-6-16(15)18-21(19,20)14-9-7-13(11-17)8-10-14/h3-10,12,18H,11,17H2,1-2H3
InChIKeyHRVMEJUANICMCH-UHFFFAOYSA-N
XLogP3.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 43332053
4-(aminomethyl)-N-(2-ethoxyphenyl)benzenesulfonamide
CID 28546723
6-amino-N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 62149213
N-[2-[(2R)-butan-2-yl]phenyl]-4-(2-methylpropyl)benzenesulfonamide
CID 26012723
3-amino-4-hydroxy-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 29035063
N-(2-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 110865788
N-(2-butan-2-ylphenyl)-4-fluorobenzenesulfonamide
CID 4678520
N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide
CID 43416706
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
CID 107813315
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 110419289
N-(2-butan-2-ylphenyl)-4-methoxybenzenesulfonamide
CID 3862587
N-(2-methylpropyl)-3-[(2-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109062830

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide (CID 29045454) is 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide is CC(C)c1ccccc1NS(=O)(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is HRVMEJUANICMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(2)15-5-3-4-6-16(15)18-21(19,20)14-9-7-13(11-17)8-10-14/h3-10,12,18H,11,17H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide?
4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 29045454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).