3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide

C12H20N2O5S2 — CID 43246882

IUPAC3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)cc(S(N)(=O)=O)c1OC
InChIInChI=1S/C12H20N2O5S2/c1-4-5-6-20(15,16)14-10-7-9(2)8-11(12(10)19-3)21(13,17)18/h7-8,14H,4-6H2,1-3H3,(H2,13,17,18)
InChIKeyRNYLAMJMQLLGMO-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.19
Rot. Bonds7

About 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide

3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 43246882) has the molecular formula C12H20N2O5S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID43246882
Molecular FormulaC12H20N2O5S2
Molecular Weight336.44 g/mol
Exact Mass336.08
IUPAC Name3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide
SMILESCCCCS(=O)(=O)Nc1cc(C)cc(S(N)(=O)=O)c1OC
InChIInChI=1S/C12H20N2O5S2/c1-4-5-6-20(15,16)14-10-7-9(2)8-11(12(10)19-3)21(13,17)18/h7-8,14H,4-6H2,1-3H3,(H2,13,17,18)
InChIKeyRNYLAMJMQLLGMO-UHFFFAOYSA-N
XLogP1.19
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-methyl-3-(sulfamoylamino)benzenesulfonamide
CID 115580034
4-methoxy-2-(pentylsulfonylamino)benzenesulfonamide
CID 119051423
4-(butylsulfonylamino)-3-methylbenzenesulfonamide
CID 43246859
5-[(butylsulfonylamino)methyl]-2-methoxybenzenesulfonamide
CID 43246908
N-(2-methoxy-5-methylphenyl)-4-(propylamino)butane-1-sulfonamide
CID 106059710
N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
3-(butylsulfonylamino)-4-methoxybenzenesulfonyl chloride
CID 43322394
N-(5-chloro-4,6-dimethyl-3-pyridinyl)butane-1-sulfonamide
CID 75538658
[5-tert-butyl-3-(3-hydroxypropylsulfonylamino)-2-methoxyphenyl]carbamic acid
CID 121268677
N-(2-aminophenyl)butane-1-sulfonamide
CID 16771337
4-(butylsulfonylamino)-3-ethyl-5-methylbenzenesulfonamide
CID 43246862
N-(5-chloro-2-methylphenyl)butane-1-sulfonamide
CID 6466028

Frequently Asked Questions

What is the IUPAC name of 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide (CID 43246882) is 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide is CCCCS(=O)(=O)Nc1cc(C)cc(S(N)(=O)=O)c1OC.
What is the InChIKey of 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is RNYLAMJMQLLGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S2/c1-4-5-6-20(15,16)14-10-7-9(2)8-11(12(10)19-3)21(13,17)18/h7-8,14H,4-6H2,1-3H3,(H2,13,17,18).
What are the key properties of 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide?
3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 336.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylsulfonylamino)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 43246882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).