N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide

C13H18BrN3O3S — CID 120713313

IUPACN-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1Br
InChIInChI=1S/C13H18BrN3O3S/c1-8(18)17-13-5-4-10(6-11(13)14)21(19,20)16-7-12(15)9-2-3-9/h4-6,9,12,16H,2-3,7,15H2,1H3,(H,17,18)
InChIKeyBRPBWACGSMMASS-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.42
Rot. Bonds6

About N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide

N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide (PubChem CID 120713313) has the molecular formula C13H18BrN3O3S and a molecular weight of 376.28 g/mol. Its IUPAC name is N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
PubChem CID120713313
Molecular FormulaC13H18BrN3O3S
Molecular Weight376.28 g/mol
Exact Mass375.03
IUPAC NameN-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1Br
InChIInChI=1S/C13H18BrN3O3S/c1-8(18)17-13-5-4-10(6-11(13)14)21(19,20)16-7-12(15)9-2-3-9/h4-6,9,12,16H,2-3,7,15H2,1H3,(H,17,18)
InChIKeyBRPBWACGSMMASS-UHFFFAOYSA-N
XLogP1.42
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromo-5-methylphenyl]acetamide
CID 120582490
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]acetamide
CID 63764900
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-fluorobenzenesulfonamide
CID 120582565
N-[2-bromo-4-(2-hydroxypentylsulfamoyl)phenyl]acetamide
CID 119043904
N-[4-[(2-amino-2-methylpropyl)sulfamoyl]-2-bromophenyl]acetamide
CID 120711584
1-acetyl-N-(2-amino-2-cyclopropylethyl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120582357
methyl 4-[(2-amino-2-cyclopropylethyl)sulfamoyl]benzoate;hydrochloride
CID 120582816
N-[4-(4-aminobutylsulfamoyl)-2-bromophenyl]acetamide;hydrochloride
CID 120713453
N-[3-[(2-amino-2-cyclopropylethyl)sulfamoyl]-4-methylphenyl]acetamide
CID 115301298
N-(2-amino-2-cyclopropylethyl)-3-bromo-4-methyl-5-nitrobenzenesulfonamide;hydrochloride
CID 120582360
N-(2-amino-2-cyclopropylethyl)-4-methoxy-3-methylbenzenesulfonamide
CID 115301370
methyl 1-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]phenyl]cyclopropane-1-carboxylate;hydrochloride
CID 120582901

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide?
The IUPAC name of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide (CID 120713313) is N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide.
What is the SMILES notation for N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide?
The canonical SMILES for N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(N)C2CC2)cc1Br.
What is the InChIKey of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide?
The InChIKey is BRPBWACGSMMASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O3S/c1-8(18)17-13-5-4-10(6-11(13)14)21(19,20)16-7-12(15)9-2-3-9/h4-6,9,12,16H,2-3,7,15H2,1H3,(H,17,18).
What are the key properties of N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide?
N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide has a molecular weight of 376.28 g/mol, XLogP of 1.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-2-cyclopropylethyl)sulfamoyl]-2-bromophenyl]acetamide is sourced from PubChem (CID 120713313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).