N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide

C16H26N2O3S — CID 120586143

IUPACN-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)11-21-15-4-6-16(7-5-15)22(19,20)18-14-8-9-17-13(3)10-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyYSBUJWGQXAJSNL-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.14
Rot. Bonds6

About N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide

N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide (PubChem CID 120586143) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
PubChem CID120586143
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide
SMILESCC(C)COc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)11-21-15-4-6-16(7-5-15)22(19,20)18-14-8-9-17-13(3)10-14/h4-7,12-14,17-18H,8-11H2,1-3H3
InChIKeyYSBUJWGQXAJSNL-UHFFFAOYSA-N
XLogP2.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylbutoxy)-N-piperidin-4-ylbenzenesulfonamide
CID 119960714
2-methyl-N-(2-methylpiperidin-4-yl)-2-[4-(2-methylpropoxy)phenyl]propanamide
CID 120602159
3-fluoro-4-methoxy-N-(2-methylpiperidin-4-yl)benzenesulfonamide
CID 106995675
N-(2-methylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106995654
N-(2-methylpiperidin-4-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 106995719
4-fluoro-3,5-dimethyl-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586103
3-methyl-N-(2-methylpiperidin-4-yl)butane-1-sulfonamide
CID 106995821
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
N-(2-amino-1-cyclopropylethyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 65188769
4-(2-methylpropoxy)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721277
4-bromo-3-chloro-N-(2-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120586097
N-(2-methylpiperidin-4-yl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120585680

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide (CID 120586143) is N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide is CC(C)COc1ccc(S(=O)(=O)NC2CCNC(C)C2)cc1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide?
The InChIKey is YSBUJWGQXAJSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)11-21-15-4-6-16(7-5-15)22(19,20)18-14-8-9-17-13(3)10-14/h4-7,12-14,17-18H,8-11H2,1-3H3.
What are the key properties of N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide?
N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide has a molecular weight of 326.46 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-(2-methylpropoxy)benzenesulfonamide is sourced from PubChem (CID 120586143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).