4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

C14H22N2O3S — CID 110736336

IUPAC4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-11-10-13(19-3)4-5-14(11)20(17,18)15-12-6-8-16(2)9-7-12/h4-5,10,12,15H,6-9H2,1-3H3
InChIKeyGBFMQJJYBAXPAX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.38
Rot. Bonds4

About 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide

4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 110736336) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID110736336
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCN(C)CC2)c(C)c1
InChIInChI=1S/C14H22N2O3S/c1-11-10-13(19-3)4-5-14(11)20(17,18)15-12-6-8-16(2)9-7-12/h4-5,10,12,15H,6-9H2,1-3H3
InChIKeyGBFMQJJYBAXPAX-UHFFFAOYSA-N
XLogP1.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-methyl-N-(1-propanoylpiperidin-4-yl)benzenesulfonamide
CID 110819180
2-amino-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 61462084
4-methoxy-2-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868839
2-(2-aminoethyl)-4-methoxy-N-(1-methylpyrrolidin-3-yl)benzenesulfonamide
CID 106052637
4-chloro-2,5-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 22772557
N-(1-cyclopropylpiperidin-4-yl)-2,5-dimethoxybenzenesulfonamide
CID 18141546
4-methoxy-2-methyl-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102029
4-methoxy-2-methyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]benzenesulfonamide
CID 97102028
N-[(1R,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688350
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-4-methoxy-2-methylbenzenesulfonamide
CID 124688369
methyl 4-[(2,4-dimethylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 110821783
ethyl 4-[(2,5-dimethoxyphenyl)sulfonylamino]piperidine-1-carboxylate
CID 32944673

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide (CID 110736336) is 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCN(C)CC2)c(C)c1.
What is the InChIKey of 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is GBFMQJJYBAXPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-10-13(19-3)4-5-14(11)20(17,18)15-12-6-8-16(2)9-7-12/h4-5,10,12,15H,6-9H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide?
4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 110736336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).