4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide

C19H25N3O2S — CID 154703782

IUPAC4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide
SMILESCc1ccccc1N(C)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15-5-3-4-6-19(15)21(2)16-11-13-22(14-12-16)17-7-9-18(10-8-17)25(20,23)24/h3-10,16H,11-14H2,1-2H3,(H2,20,23,24)
InChIKeyXGMFNVOMXUTXLA-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.75
Rot. Bonds4

About 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide

4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide (PubChem CID 154703782) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide
PubChem CID154703782
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide
SMILESCc1ccccc1N(C)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1
InChIInChI=1S/C19H25N3O2S/c1-15-5-3-4-6-19(15)21(2)16-11-13-22(14-12-16)17-7-9-18(10-8-17)25(20,23)24/h3-10,16H,11-14H2,1-2H3,(H2,20,23,24)
InChIKeyXGMFNVOMXUTXLA-UHFFFAOYSA-N
XLogP2.75
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627958
4-[4-[[ethyl(methyl)amino]methyl]piperidin-1-yl]benzenesulfonamide
CID 146149057
4-[4-(4-methylphenoxy)piperidin-1-yl]benzenesulfonamide
CID 11393856
N-methyl-N-[1-(4-methylsulfonylphenyl)piperidin-4-yl]pyridin-2-amine
CID 163344050
methyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 62005683
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
2-methylpropyl 1-(4-sulfamoylphenyl)piperidine-4-carboxylate
CID 167519802
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
N-cyclohexyl-N-methyl-2-[4-(4-sulfamoylphenyl)piperazin-1-yl]acetamide
CID 78877655
4-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]benzenesulfonamide
CID 171999825
4-[4-(azepan-1-ylmethyl)piperidin-1-yl]benzenesulfonamide
CID 146142611
4-[4-[3-[benzyl(methyl)amino]-2-hydroxypropyl]piperazin-1-yl]benzenesulfonamide
CID 86882570

Frequently Asked Questions

What is the IUPAC name of 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide (CID 154703782) is 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide is Cc1ccccc1N(C)C1CCN(c2ccc(S(N)(=O)=O)cc2)CC1.
What is the InChIKey of 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide?
The InChIKey is XGMFNVOMXUTXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-15-5-3-4-6-19(15)21(2)16-11-13-22(14-12-16)17-7-9-18(10-8-17)25(20,23)24/h3-10,16H,11-14H2,1-2H3,(H2,20,23,24).
What are the key properties of 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide?
4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(N,2-dimethylanilino)piperidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 154703782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).