1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride

C14H20BrClN2O3S — CID 119792990

IUPAC1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1(N)CC1)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O3S.ClH/c1-13(2,9-17-12(18)14(16)7-8-14)21(19,20)11-5-3-10(15)4-6-11;/h3-6H,7-9,16H2,1-2H3,(H,17,18);1H
InChIKeyJULVTHKZKSZKEE-UHFFFAOYSA-N
MW411.75 g/mol
LogP2.03
Rot. Bonds5

About 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119792990) has the molecular formula C14H20BrClN2O3S and a molecular weight of 411.75 g/mol. Its IUPAC name is 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119792990
Molecular FormulaC14H20BrClN2O3S
Molecular Weight411.75 g/mol
Exact Mass410.01
IUPAC Name1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1(N)CC1)S(=O)(=O)c1ccc(Br)cc1.Cl
InChIInChI=1S/C14H19BrN2O3S.ClH/c1-13(2,9-17-12(18)14(16)7-8-14)21(19,20)11-5-3-10(15)4-6-11;/h3-6H,7-9,16H2,1-2H3,(H,17,18);1H
InChIKeyJULVTHKZKSZKEE-UHFFFAOYSA-N
XLogP2.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.75
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]propanamide;hydrochloride
CID 119328873
N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]-4-(methylamino)butanamide;hydrochloride
CID 119792992
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 115189921
1-amino-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]cyclopropane-1-carboxamide
CID 115190069
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
1-amino-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119704154
1-amino-N-[2-(4-ethylphenyl)-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride
CID 119802066
1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
N-(2-amino-2-methylpropyl)-1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxamide;hydrochloride
CID 119626480
2-(4-bromophenyl)sulfonyl-N-[2-(ethylamino)ethyl]-2-methylpropanamide;hydrochloride
CID 119508899
1-amino-N-[(1S)-1-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 81359922
1-amino-N-[2-(5-bromo-2-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119762937

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride (CID 119792990) is 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride is CC(C)(CNC(=O)C1(N)CC1)S(=O)(=O)c1ccc(Br)cc1.Cl.
What is the InChIKey of 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is JULVTHKZKSZKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S.ClH/c1-13(2,9-17-12(18)14(16)7-8-14)21(19,20)11-5-3-10(15)4-6-11;/h3-6H,7-9,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 411.75 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-bromophenyl)sulfonyl-2-methylpropyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119792990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).