N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide

C16H20N2O2S — CID 43276074

IUPACN-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccc(CN)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(2)18(15-10-8-14(12-17)9-11-15)21(19,20)16-6-4-3-5-7-16/h3-11,13H,12,17H2,1-2H3
InChIKeyXXDBWQSQWWYYQP-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.75
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide

N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide (PubChem CID 43276074) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
PubChem CID43276074
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(c1ccc(CN)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H20N2O2S/c1-13(2)18(15-10-8-14(12-17)9-11-15)21(19,20)16-6-4-3-5-7-16/h3-11,13H,12,17H2,1-2H3
InChIKeyXXDBWQSQWWYYQP-UHFFFAOYSA-N
XLogP2.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541765
3-bromo-N-phenyl-N-propan-2-ylbenzenesulfonamide
CID 56541492
N,N-bis[4-(2-methylpropyl)phenyl]benzenesulfonamide
CID 141472327
N-propan-2-yl-N-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]benzenesulfonamide
CID 12000645
N-[4-(aminomethyl)phenyl]-N-propan-2-ylcyclohexanesulfonamide
CID 61065296
4-(aminomethyl)-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 43272087
N-[4-(aminomethyl)phenyl]-N-propan-2-yloxane-4-sulfonamide
CID 62050109
N-(4-fluorophenyl)-N-(2-methylpropyl)benzenesulfonamide
CID 138798374
N-[4-(aminomethyl)phenyl]-2-phenyl-N-propan-2-ylacetamide
CID 43275980
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
3-(aminomethyl)-N-(2-hydroxypropyl)-N-methylbenzenesulfonamide
CID 62333565
N-benzyl-N-propan-2-ylbenzenesulfonamide
CID 2813484

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide (CID 43276074) is N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide is CC(C)N(c1ccc(CN)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is XXDBWQSQWWYYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-13(2)18(15-10-8-14(12-17)9-11-15)21(19,20)16-6-4-3-5-7-16/h3-11,13H,12,17H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide?
N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43276074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).