1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide

C12H15BrN2O4S — CID 132972130

IUPAC1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NC1(C(N)=O)CC1
InChIInChI=1S/C12H15BrN2O4S/c1-7-5-9(19-2)10(6-8(7)13)20(17,18)15-12(3-4-12)11(14)16/h5-6,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyROKVHJUPVYFZHG-UHFFFAOYSA-N
MW363.23 g/mol
LogP1.06
Rot. Bonds5

About 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide

1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide (PubChem CID 132972130) has the molecular formula C12H15BrN2O4S and a molecular weight of 363.23 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide
PubChem CID132972130
Molecular FormulaC12H15BrN2O4S
Molecular Weight363.23 g/mol
Exact Mass361.99
IUPAC Name1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(Br)cc1S(=O)(=O)NC1(C(N)=O)CC1
InChIInChI=1S/C12H15BrN2O4S/c1-7-5-9(19-2)10(6-8(7)13)20(17,18)15-12(3-4-12)11(14)16/h5-6,15H,3-4H2,1-2H3,(H2,14,16)
InChIKeyROKVHJUPVYFZHG-UHFFFAOYSA-N
XLogP1.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.23
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-ethyl-2-methoxy-4-methylbenzenesulfonamide
CID 9267366
N-(2-amino-2-methylpropyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 119988082
N-[2-(aminomethyl)cyclohexyl]-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986113
5-bromo-N-[(2S)-2-hydroxypropyl]-2-methoxy-4-methylbenzenesulfonamide
CID 27262155
3-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071454
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119986669
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
5-bromo-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034401
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
5-bromo-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxy-4-methylbenzenesulfonamide
CID 42034400
N-(3-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide
CID 119972422
5-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 167824562

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide?
The IUPAC name of 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide (CID 132972130) is 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide is COc1cc(C)c(Br)cc1S(=O)(=O)NC1(C(N)=O)CC1.
What is the InChIKey of 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide?
The InChIKey is ROKVHJUPVYFZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4S/c1-7-5-9(19-2)10(6-8(7)13)20(17,18)15-12(3-4-12)11(14)16/h5-6,15H,3-4H2,1-2H3,(H2,14,16).
What are the key properties of 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide?
1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide has a molecular weight of 363.23 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxy-4-methylphenyl)sulfonylamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 132972130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).