N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide

C17H23N3O2S — CID 48563030

IUPACN-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccnc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)20-23(21,22)16-9-5-4-8-15(16)13-19-12-14-7-6-10-18-11-14/h4-11,19-20H,12-13H2,1-3H3
InChIKeyRCEAIDGCBRUZDE-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.45
Rot. Bonds6

About N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide

N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide (PubChem CID 48563030) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
PubChem CID48563030
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccnc1
InChIInChI=1S/C17H23N3O2S/c1-17(2,3)20-23(21,22)16-9-5-4-8-15(16)13-19-12-14-7-6-10-18-11-14/h4-11,19-20H,12-13H2,1-3H3
InChIKeyRCEAIDGCBRUZDE-UHFFFAOYSA-N
XLogP2.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[(3-chlorophenyl)methylamino]methyl]benzenesulfonamide
CID 48563112
4-[[[2-(tert-butylsulfamoyl)phenyl]methylamino]methyl]benzoic acid
CID 122030739
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47104151
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
1-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590
N-[(2-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine;oxalic acid
CID 17367682
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 83082450
N-tert-butyl-2-[[(2-chloro-4-pyridinyl)amino]methyl]benzenesulfonamide
CID 133360241
N-[(2-butoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 39369723

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide?
The IUPAC name of N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide (CID 48563030) is N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1cccnc1.
What is the InChIKey of N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide?
The InChIKey is RCEAIDGCBRUZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-17(2,3)20-23(21,22)16-9-5-4-8-15(16)13-19-12-14-7-6-10-18-11-14/h4-11,19-20H,12-13H2,1-3H3.
What are the key properties of N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide?
N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide has a molecular weight of 333.46 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(pyridin-3-ylmethylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 48563030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).