5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide

C11H16N2O5S2 — CID 64987778

IUPAC5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O5S2/c1-18-10-5-4-9(6-11(10)20(12,16)17)13-19(14,15)7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H2,12,16,17)
InChIKeyFXNMZQBVGCPTDO-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.49
Rot. Bonds6

About 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide

5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide (PubChem CID 64987778) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
PubChem CID64987778
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)CC2CC2)cc1S(N)(=O)=O
InChIInChI=1S/C11H16N2O5S2/c1-18-10-5-4-9(6-11(10)20(12,16)17)13-19(14,15)7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H2,12,16,17)
InChIKeyFXNMZQBVGCPTDO-UHFFFAOYSA-N
XLogP0.49
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-2-methoxyphenyl)-1-cyclopropylmethanesulfonamide
CID 64987464
5-[(3-bromo-4-methoxyphenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4832626
N-(4-amino-2-methoxyphenyl)-1-cyclohexylmethanesulfonamide
CID 61453809
2-methoxy-5-(pentylamino)benzenesulfonamide
CID 143880253
1-cyclopropyl-N-(2-hydroxy-6-methoxyphenyl)methanesulfonamide
CID 114764767
cyclopropylmethyl 4-methoxy-3-sulfamoylbenzoate
CID 65382037
1-cyclobutyl-3-(4-methoxy-3-sulfamoylphenyl)urea
CID 116658847
1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
CID 114002396
4-(cyclopropylmethylsulfonylamino)-3-methoxybenzenecarbothioamide
CID 104849504
5-[(2,5-dichlorophenyl)sulfonylamino]-2-methoxybenzenesulfonamide
CID 4826414
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
2-chloro-N-(4-methoxy-3-sulfamoylphenyl)-4-methylbenzenesulfonamide
CID 24629158

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide (CID 64987778) is 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide is COc1ccc(NS(=O)(=O)CC2CC2)cc1S(N)(=O)=O.
What is the InChIKey of 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide?
The InChIKey is FXNMZQBVGCPTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-18-10-5-4-9(6-11(10)20(12,16)17)13-19(14,15)7-8-2-3-8/h4-6,8,13H,2-3,7H2,1H3,(H2,12,16,17).
What are the key properties of 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide?
5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide has a molecular weight of 320.39 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethylsulfonylamino)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 64987778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).