4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide

C18H22N2O3S — CID 112981233

IUPAC4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-4-10-18(11-5-14)24(21,22)20-16-8-6-15(7-9-16)19-13-17-3-2-12-23-17/h4-11,17,19-20H,2-3,12-13H2,1H3
InChIKeyFJOHGBCMQGZXLK-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.39
Rot. Bonds6

About 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide

4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide (PubChem CID 112981233) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
PubChem CID112981233
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)cc2)cc1
InChIInChI=1S/C18H22N2O3S/c1-14-4-10-18(11-5-14)24(21,22)20-16-8-6-15(7-9-16)19-13-17-3-2-12-23-17/h4-11,17,19-20H,2-3,12-13H2,1H3
InChIKeyFJOHGBCMQGZXLK-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981235
N-[4-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82833910
N-cyclopropyl-4-(oxolan-2-ylmethylamino)benzenesulfonamide
CID 43454039
4-(benzenesulfonamido)-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 1025633
3,5-dimethyl-N-[4-(oxolan-2-ylmethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 112981267
2,4-dimethoxy-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide
CID 112981250
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
4-[[4-(3-methylphenyl)phenyl]sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92882397
4-[[4-(2-methylphenyl)phenyl]sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 46386325
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-[[(2R)-oxolan-2-yl]methyl]cyclopropane-1-carboxamide
CID 92880218
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 43005963
4-[(3,4-dimethylphenyl)sulfamoyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 25391523

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide (CID 112981233) is 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(NCC3CCCO3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
The InChIKey is FJOHGBCMQGZXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-14-4-10-18(11-5-14)24(21,22)20-16-8-6-15(7-9-16)19-13-17-3-2-12-23-17/h4-11,17,19-20H,2-3,12-13H2,1H3.
What are the key properties of 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide?
4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide has a molecular weight of 346.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzenesulfonamide is sourced from PubChem (CID 112981233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).