N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide

C14H15ClN2O2S — CID 81089757

IUPACN-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
SMILESNCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-7-14(8-6-13)20(18,19)17-10-12-3-1-11(9-16)2-4-12/h1-8,17H,9-10,16H2
InChIKeyMTOFGWOTYDHCOO-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.28
Rot. Bonds5

About N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide

N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide (PubChem CID 81089757) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
PubChem CID81089757
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide
SMILESNCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN2O2S/c15-13-5-7-14(8-6-13)20(18,19)17-10-12-3-1-11(9-16)2-4-12/h1-8,17H,9-10,16H2
InChIKeyMTOFGWOTYDHCOO-UHFFFAOYSA-N
XLogP2.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.28
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-chlorophenyl)methyl]-4-iodobenzenesulfonamide
CID 5000374
4-(aminomethyl)-N-benzylbenzenesulfonamide;hydrochloride
CID 22051273
N-[[4-(aminomethyl)phenyl]methyl]-3-chlorobenzenesulfonamide
CID 81090139
4-[[(4-chlorophenyl)sulfonylamino]methyl]benzenecarbothioamide
CID 62312387
3-(aminomethyl)-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 106023385
5-(aminomethyl)-N-[(4-chlorophenyl)methyl]thiophene-3-sulfonamide
CID 106023109
6-amino-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 62162273
6-chloro-N-[(4-chlorophenyl)methyl]pyridine-3-sulfonamide
CID 826869
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
4-[[(4-chlorophenyl)sulfonylamino]methyl]-N,N-diethylbenzenesulfonamide
CID 8815309
N-[[4-(aminomethyl)phenyl]methyl]-4-chloro-2-fluorobenzenesulfonamide
CID 81094378

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide (CID 81089757) is N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide is NCc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide?
The InChIKey is MTOFGWOTYDHCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-5-7-14(8-6-13)20(18,19)17-10-12-3-1-11(9-16)2-4-12/h1-8,17H,9-10,16H2.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide?
N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-4-chlorobenzenesulfonamide is sourced from PubChem (CID 81089757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).