1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide

C21H25BrN2O3S — CID 46384158

IUPAC1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CCC1
InChIInChI=1S/C21H25BrN2O3S/c1-15(2)14-23-20(25)21(12-3-13-21)16-4-8-18(9-5-16)24-28(26,27)19-10-6-17(22)7-11-19/h4-11,15,24H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyWKLLJIHQRQXKOJ-UHFFFAOYSA-N
MW465.41 g/mol
LogP4.44
Rot. Bonds7

About 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide

1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 46384158) has the molecular formula C21H25BrN2O3S and a molecular weight of 465.41 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
PubChem CID46384158
Molecular FormulaC21H25BrN2O3S
Molecular Weight465.41 g/mol
Exact Mass464.08
IUPAC Name1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CCC1
InChIInChI=1S/C21H25BrN2O3S/c1-15(2)14-23-20(25)21(12-3-13-21)16-4-8-18(9-5-16)24-28(26,27)19-10-6-17(22)7-11-19/h4-11,15,24H,3,12-14H2,1-2H3,(H,23,25)
InChIKeyWKLLJIHQRQXKOJ-UHFFFAOYSA-N
XLogP4.44
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-ethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062254
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
CID 120830481
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
N-(2-methylpropyl)-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062251
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062249
1-[4-[(2-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 50822139
1-(4-fluorophenyl)-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 110438203
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 50820388
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methoxyethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062034
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 46378187
N-butyl-1-[4-[[4-(2-methylpropyl)phenyl]sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822340

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide (CID 46384158) is 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide is CC(C)CNC(=O)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CCC1.
What is the InChIKey of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide?
The InChIKey is WKLLJIHQRQXKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O3S/c1-15(2)14-23-20(25)21(12-3-13-21)16-4-8-18(9-5-16)24-28(26,27)19-10-6-17(22)7-11-19/h4-11,15,24H,3,12-14H2,1-2H3,(H,23,25).
What are the key properties of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide?
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 465.41 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 46384158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).