N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide

C19H26N2O2S — CID 70939276

IUPACN-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)c1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-14(2)17-7-11-18(12-8-17)20-13-16-5-9-19(10-6-16)21-24(22,23)15(3)4/h5-12,14-15,20-21H,13H2,1-4H3
InChIKeyMGJIWYIGPNGADT-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.57
Rot. Bonds7

About N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide

N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide (PubChem CID 70939276) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
PubChem CID70939276
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide
SMILESCC(C)c1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1
InChIInChI=1S/C19H26N2O2S/c1-14(2)17-7-11-18(12-8-17)20-13-16-5-9-19(10-6-16)21-24(22,23)15(3)4/h5-12,14-15,20-21H,13H2,1-4H3
InChIKeyMGJIWYIGPNGADT-UHFFFAOYSA-N
XLogP4.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-butylphenyl)methylamino]phenyl]propane-2-sulfonamide
CID 24850159
N-[4-[[4-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939828
N-[4-[(3,4-difluoroanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939016
N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939271
N-[4-[[4-(2-oxopyrrolidin-1-yl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939268
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
N-[4-[[4-fluoro-3-(trifluoromethyl)anilino]methyl]phenyl]propane-2-sulfonamide
CID 70939476
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
N-[4-[(5-chloro-2-methoxyanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939150
N-[4-[[(7-methyl-1,3-benzodioxol-5-yl)amino]methyl]phenyl]propane-2-sulfonamide
CID 59230979
N-(2-methylpropyl)-2-[4-[(4-propan-2-ylphenyl)methylamino]phenyl]acetamide
CID 46045366
N-[4-[[[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]amino]methyl]phenyl]propane-2-sulfonamide
CID 70939895

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide (CID 70939276) is N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide is CC(C)c1ccc(NCc2ccc(NS(=O)(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide?
The InChIKey is MGJIWYIGPNGADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14(2)17-7-11-18(12-8-17)20-13-16-5-9-19(10-6-16)21-24(22,23)15(3)4/h5-12,14-15,20-21H,13H2,1-4H3.
What are the key properties of N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide?
N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide has a molecular weight of 346.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-propan-2-ylanilino)methyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 70939276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).