4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide

C16H20N2O2S — CID 43097507

IUPAC4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(C)N)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-3-5-14(6-4-12)11-18-21(19,20)16-9-7-15(8-10-16)13(2)17/h3-10,13,18H,11,17H2,1-2H3
InChIKeyIZVMNIPVJBHJAS-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.49
Rot. Bonds5

About 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 43097507) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID43097507
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCc1ccc(CNS(=O)(=O)c2ccc(C(C)N)cc2)cc1
InChIInChI=1S/C16H20N2O2S/c1-12-3-5-14(6-4-12)11-18-21(19,20)16-9-7-15(8-10-16)13(2)17/h3-10,13,18H,11,17H2,1-2H3
InChIKeyIZVMNIPVJBHJAS-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-4-methylbenzenesulfonamide
CID 60919101
N-[(4-bromophenyl)methyl]-4-methylbenzenesulfonamide
CID 3370668
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
N-[4-[(4-methylphenyl)methylsulfamoyl]phenyl]acetamide
CID 669174
1-methyl-4-[(sulfamoylamino)methyl]benzene
CID 21041221
4-(1-aminoethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401433
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
4-(1-aminoethyl)-N-(cyclobutylmethyl)benzenesulfonamide
CID 43298854
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
4-(1-aminoethyl)-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63959615

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 43097507) is 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide is Cc1ccc(CNS(=O)(=O)c2ccc(C(C)N)cc2)cc1.
What is the InChIKey of 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is IZVMNIPVJBHJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12-3-5-14(6-4-12)11-18-21(19,20)16-9-7-15(8-10-16)13(2)17/h3-10,13,18H,11,17H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 43097507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).