1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide

C21H23BrN2O3S — CID 46378187

IUPAC1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C21H23BrN2O3S/c22-16-7-11-19(12-8-16)28(26,27)24-18-9-5-15(6-10-18)21(13-14-21)20(25)23-17-3-1-2-4-17/h5-12,17,24H,1-4,13-14H2,(H,23,25)
InChIKeyVXFKPEQKPBUVNY-UHFFFAOYSA-N
MW463.40 g/mol
LogP4.34
Rot. Bonds6

About 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide

1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide (PubChem CID 46378187) has the molecular formula C21H23BrN2O3S and a molecular weight of 463.40 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
PubChem CID46378187
Molecular FormulaC21H23BrN2O3S
Molecular Weight463.40 g/mol
Exact Mass462.06
IUPAC Name1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
SMILESO=C(NC1CCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1
InChIInChI=1S/C21H23BrN2O3S/c22-16-7-11-19(12-8-16)28(26,27)24-18-9-5-15(6-10-18)21(13-14-21)20(25)23-17-3-1-2-4-17/h5-12,17,24H,1-4,13-14H2,(H,23,25)
InChIKeyVXFKPEQKPBUVNY-UHFFFAOYSA-N
XLogP4.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.40
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-1-[4-[(4-fluorophenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 20971652
1-[4-[(4-tert-butylphenyl)sulfonylamino]phenyl]-N-cyclohexylcyclopropane-1-carboxamide
CID 50822425
N-cyclopentyl-1-[4-[(4-ethoxyphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822210
N-cycloheptyl-1-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)phenyl]cyclopropane-1-carboxamide
CID 46378168
N-cyclohexyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378333
N-cyclohexyl-1-[4-[(4-propylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146062318
N-cyclopentyl-1-[4-[(2,5-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50820428
N-cycloheptyl-1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 146061942
1-[4-[(4-cyclohexylphenyl)sulfonylamino]phenyl]-N-methylcyclopropane-1-carboxamide
CID 46378340
1-[4-[(3,4-dimethylphenyl)sulfonylamino]phenyl]-N-(4-methylcyclohexyl)cyclopropane-1-carboxamide
CID 50822132
N-cyclohexyl-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 50822402
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
The IUPAC name of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide (CID 46378187) is 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide is O=C(NC1CCCC1)C1(c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)CC1.
What is the InChIKey of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
The InChIKey is VXFKPEQKPBUVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN2O3S/c22-16-7-11-19(12-8-16)28(26,27)24-18-9-5-15(6-10-18)21(13-14-21)20(25)23-17-3-1-2-4-17/h5-12,17,24H,1-4,13-14H2,(H,23,25).
What are the key properties of 1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide?
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-cyclopentylcyclopropane-1-carboxamide has a molecular weight of 463.40 g/mol, XLogP of 4.34, 6 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-cyclopentylcyclopropane-1-carboxamide is sourced from PubChem (CID 46378187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).