2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide

C15H25N3O5S2 — CID 120726627

IUPAC2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C15H25N3O5S2/c1-4-24(19,20)17-14-10-12(23-3)7-8-15(14)25(21,22)18-13-6-5-9-16-11(13)2/h7-8,10-11,13,16-18H,4-6,9H2,1-3H3
InChIKeyDCSDMIWBWZYENI-UHFFFAOYSA-N
MW391.52 g/mol
LogP0.88
Rot. Bonds7

About 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide

2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide (PubChem CID 120726627) has the molecular formula C15H25N3O5S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide
PubChem CID120726627
Molecular FormulaC15H25N3O5S2
Molecular Weight391.52 g/mol
Exact Mass391.12
IUPAC Name2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide
SMILESCCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC1CCCNC1C
InChIInChI=1S/C15H25N3O5S2/c1-4-24(19,20)17-14-10-12(23-3)7-8-15(14)25(21,22)18-13-6-5-9-16-11(13)2/h7-8,10-11,13,16-18H,4-6,9H2,1-3H3
InChIKeyDCSDMIWBWZYENI-UHFFFAOYSA-N
XLogP0.88
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dimethylpiperazin-1-yl)sulfonyl-5-methoxyphenyl]ethanesulfonamide
CID 120725841
2,4-dimethyl-N-[(2R,3R)-2-methylpiperidin-3-yl]benzenesulfonamide
CID 124515702
methyl 5-methyl-2-[(2-methylpiperidin-3-yl)sulfamoyl]benzoate;hydrochloride
CID 120726210
4-(2-methoxyethoxy)-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 120726698
2,5-dibromo-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695307
dimethyl 2-[(2-methylpiperidin-3-yl)sulfamoyl]benzene-1,4-dicarboxylate;hydrochloride
CID 120726589
6-bromo-N-(2-methylpiperidin-3-yl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 120726236
6-methyl-N-(2-methylpiperidin-3-yl)-1,3-benzodioxole-5-sulfonamide
CID 120876654
5-bromo-2-methyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide;hydrochloride
CID 120726195
methyl 5-ethyl-4-[(2-methylpiperidin-3-yl)sulfamoyl]furan-2-carboxylate;hydrochloride
CID 120726214
3,5-dimethyl-N-(2-methylpiperidin-3-yl)benzenesulfonamide
CID 114695181
3-methoxy-N-(2-methylpiperidin-3-yl)thiophene-2-sulfonamide;hydrochloride
CID 120726757

Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The IUPAC name of 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide (CID 120726627) is 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide is CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NC1CCCNC1C.
What is the InChIKey of 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
The InChIKey is DCSDMIWBWZYENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2/c1-4-24(19,20)17-14-10-12(23-3)7-8-15(14)25(21,22)18-13-6-5-9-16-11(13)2/h7-8,10-11,13,16-18H,4-6,9H2,1-3H3.
What are the key properties of 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide?
2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-4-methoxy-N-(2-methylpiperidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 120726627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).