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

C15H26ClN3O5S2 — CID 120724693

IUPAC4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCNCC2C)c(OC)c1.Cl
InChIInChI=1S/C15H25N3O5S2.ClH/c1-4-24(19,20)17-12-5-6-15(14(9-12)23-3)25(21,22)18-13-7-8-16-10-11(13)2;/h5-6,9,11,13,16-18H,4,7-8,10H2,1-3H3;1H
InChIKeySJILUKBCGVXKDD-UHFFFAOYSA-N
MW427.98 g/mol
LogP1.15
Rot. Bonds7

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

4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (PubChem CID 120724693) has the molecular formula C15H26ClN3O5S2 and a molecular weight of 427.98 g/mol. Its IUPAC name is 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
PubChem CID120724693
Molecular FormulaC15H26ClN3O5S2
Molecular Weight427.98 g/mol
Exact Mass427.10
IUPAC Name4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
SMILESCCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCNCC2C)c(OC)c1.Cl
InChIInChI=1S/C15H25N3O5S2.ClH/c1-4-24(19,20)17-12-5-6-15(14(9-12)23-3)25(21,22)18-13-7-8-16-10-11(13)2;/h5-6,9,11,13,16-18H,4,7-8,10H2,1-3H3;1H
InChIKeySJILUKBCGVXKDD-UHFFFAOYSA-N
XLogP1.15
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725133
2,5-dichloro-4-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724939
4-methoxy-N-(3-methylpiperidin-4-yl)naphthalene-1-sulfonamide
CID 120725200
2,5-dichloro-4-methoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 129467888
4-bromo-3-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120724741
4-methoxy-3-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725010
2,4,6-trimethoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120876553
N-(2-cyclopentylethyl)-4-(ethylsulfonylamino)-2-methoxybenzenesulfonamide
CID 75392991
3-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-sulfonamide
CID 120725164
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride
CID 120725034
4-fluoro-2-methyl-N-[(3S,4S)-3-methylpiperidin-4-yl]benzenesulfonamide
CID 124516981
5-chloro-2-methyl-N-(3-methylpiperidin-4-yl)benzenesulfonamide
CID 120725193

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride (CID 120724693) is 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is CCS(=O)(=O)Nc1ccc(S(=O)(=O)NC2CCNCC2C)c(OC)c1.Cl.
What is the InChIKey of 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
The InChIKey is SJILUKBCGVXKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S2.ClH/c1-4-24(19,20)17-12-5-6-15(14(9-12)23-3)25(21,22)18-13-7-8-16-10-11(13)2;/h5-6,9,11,13,16-18H,4,7-8,10H2,1-3H3;1H.
What are the key properties of 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride?
4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride has a molecular weight of 427.98 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfonylamino)-2-methoxy-N-(3-methylpiperidin-4-yl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120724693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).