3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride

C16H27ClN2O3S — CID 120724685

IUPAC3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCNCC2C)ccc1OC(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-11(2)21-16-6-5-14(9-12(16)3)22(19,20)18-15-7-8-17-10-13(15)4;/h5-6,9,11,13,15,17-18H,7-8,10H2,1-4H3;1H
InChIKeyDGOXQRHCDAFCKW-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.48
Rot. Bonds5

About 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride

3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride (PubChem CID 120724685) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
PubChem CID120724685
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC Name3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride
SMILESCc1cc(S(=O)(=O)NC2CCNCC2C)ccc1OC(C)C.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-11(2)21-16-6-5-14(9-12(16)3)22(19,20)18-15-7-8-17-10-13(15)4;/h5-6,9,11,13,15,17-18H,7-8,10H2,1-4H3;1H
InChIKeyDGOXQRHCDAFCKW-UHFFFAOYSA-N
XLogP2.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
3-chloro-4-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725299
4-methoxy-3,5-dimethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725107
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
3-methyl-N-(1-piperidin-3-ylethyl)-4-propan-2-yloxybenzenesulfonamide
CID 119970212
4-tert-butyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725276
N-[(3R,4S)-3-methylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 124516960
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724849
N-(3-methylpiperidin-4-yl)-4-phenylbenzenesulfonamide
CID 120724798
methyl 2-chloro-4-[(3-methylpiperidin-4-yl)sulfamoyl]benzoate
CID 120724810
3-ethyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120724850
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The IUPAC name of 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride (CID 120724685) is 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride is Cc1cc(S(=O)(=O)NC2CCNCC2C)ccc1OC(C)C.Cl.
What is the InChIKey of 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
The InChIKey is DGOXQRHCDAFCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-11(2)21-16-6-5-14(9-12(16)3)22(19,20)18-15-7-8-17-10-13(15)4;/h5-6,9,11,13,15,17-18H,7-8,10H2,1-4H3;1H.
What are the key properties of 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride?
3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methylpiperidin-4-yl)-4-propan-2-yloxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).