N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide

C18H23ClN2O2S — CID 48563112

IUPACN-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O2S/c1-18(2,3)21-24(22,23)17-10-5-4-8-15(17)13-20-12-14-7-6-9-16(19)11-14/h4-11,20-21H,12-13H2,1-3H3
InChIKeyHHUOWOBSXNQRAE-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.71
Rot. Bonds6

About N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide

N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide (PubChem CID 48563112) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
PubChem CID48563112
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccc(Cl)c1
InChIInChI=1S/C18H23ClN2O2S/c1-18(2,3)21-24(22,23)17-10-5-4-8-15(17)13-20-12-14-7-6-9-16(19)11-14/h4-11,20-21H,12-13H2,1-3H3
InChIKeyHHUOWOBSXNQRAE-UHFFFAOYSA-N
XLogP3.71
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
CID 48563030
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-methyl-3-[(3-methylphenyl)methyl]guanidine
CID 111899911
1-[[2-(tert-butylsulfamoyl)phenyl]methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111876297
1-(3-chlorophenyl)-N-[[2-(methoxymethyl)phenyl]methyl]methanamine
CID 60744302
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 83169424
N-tert-butyl-2-[[(2-chloro-4-pyridinyl)amino]methyl]benzenesulfonamide
CID 133360241
1-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;oxalic acid
CID 17365854
3-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 60858657
1-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]methanamine
CID 28664098
N-tert-butyl-2-[(3-chlorophenyl)methylamino]acetamide
CID 55024120
N-tert-butyl-2-(trimethylstannylmethyl)benzenesulfonamide
CID 13372366

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide (CID 48563112) is N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccc(Cl)c1.
What is the InChIKey of N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
The InChIKey is HHUOWOBSXNQRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-18(2,3)21-24(22,23)17-10-5-4-8-15(17)13-20-12-14-7-6-9-16(19)11-14/h4-11,20-21H,12-13H2,1-3H3.
What are the key properties of N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide?
N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide has a molecular weight of 366.91 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide is sourced from PubChem (CID 48563112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).