2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

C12H16BrN3O3S — CID 62057270

IUPAC2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C12H16BrN3O3S/c1-16(7-12(17)15-8-2-3-8)20(18,19)9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyPVNFDGWFKFHPIN-UHFFFAOYSA-N
MW362.25 g/mol
LogP0.93
Rot. Bonds5

About 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide

2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (PubChem CID 62057270) has the molecular formula C12H16BrN3O3S and a molecular weight of 362.25 g/mol. Its IUPAC name is 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
PubChem CID62057270
Molecular FormulaC12H16BrN3O3S
Molecular Weight362.25 g/mol
Exact Mass361.01
IUPAC Name2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(N)c(Br)c1
InChIInChI=1S/C12H16BrN3O3S/c1-16(7-12(17)15-8-2-3-8)20(18,19)9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7,14H2,1H3,(H,15,17)
InChIKeyPVNFDGWFKFHPIN-UHFFFAOYSA-N
XLogP0.93
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 33174885
2-[(3-aminophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575882
2-[(3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 8816672
2-[(4-amino-2,6-dibromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575925
N-cyclopropyl-2-[(4-ethylphenyl)sulfonyl-methylamino]acetamide
CID 8816780
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 116791527
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
N-(4-aminocyclohexyl)-2-[(4-chlorophenyl)sulfonyl-methylamino]acetamide
CID 119475665
2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-methylamino]-N-cyclopropylacetamide
CID 28536702
2-[(3-bromothiophen-2-yl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 61074023
2-[(5-amino-2,4-difluorophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 43575899
N-cyclopentyl-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 1316718

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide (CID 62057270) is 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)S(=O)(=O)c1ccc(N)c(Br)c1.
What is the InChIKey of 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
The InChIKey is PVNFDGWFKFHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O3S/c1-16(7-12(17)15-8-2-3-8)20(18,19)9-4-5-11(14)10(13)6-9/h4-6,8H,2-3,7,14H2,1H3,(H,15,17).
What are the key properties of 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide?
2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide has a molecular weight of 362.25 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-bromophenyl)sulfonyl-methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 62057270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).