4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

C15H18N2O3S — CID 114701636

IUPAC4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-9-16-8-7-14(11)10-17-21(19,20)15-5-3-13(4-6-15)12(2)18/h3-9,12,17-18H,10H2,1-2H3
InChIKeyBITSKEGAKATEPV-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.92
Rot. Bonds5

About 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 114701636) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID114701636
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCc1cnccc1CNS(=O)(=O)c1ccc(C(C)O)cc1
InChIInChI=1S/C15H18N2O3S/c1-11-9-16-8-7-14(11)10-17-21(19,20)15-5-3-13(4-6-15)12(2)18/h3-9,12,17-18H,10H2,1-2H3
InChIKeyBITSKEGAKATEPV-UHFFFAOYSA-N
XLogP1.92
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114700456
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
4-(2,4-dichlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 58108469
N-[(4,5-dimethylthiophen-2-yl)methyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 65245455
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106083517
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
1-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]propane-2-sulfonamide
CID 114142279
N-[(3-methyl-4-pyridinyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 114701089

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (CID 114701636) is 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is Cc1cnccc1CNS(=O)(=O)c1ccc(C(C)O)cc1.
What is the InChIKey of 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is BITSKEGAKATEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-11-9-16-8-7-14(11)10-17-21(19,20)15-5-3-13(4-6-15)12(2)18/h3-9,12,17-18H,10H2,1-2H3.
What are the key properties of 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 306.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 114701636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).