2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide

C18H17BrCl2N2O3S — CID 126371963

IUPAC2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NC1CC1
InChIInChI=1S/C18H17BrCl2N2O3S/c19-13-2-7-16(8-3-13)27(25,26)23(11-18(24)22-15-5-6-15)10-12-1-4-14(20)9-17(12)21/h1-4,7-9,15H,5-6,10-11H2,(H,22,24)
InChIKeyRHTBEABURPYFES-UHFFFAOYSA-N
MW492.22 g/mol
LogP4.23
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide

2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide (PubChem CID 126371963) has the molecular formula C18H17BrCl2N2O3S and a molecular weight of 492.22 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
PubChem CID126371963
Molecular FormulaC18H17BrCl2N2O3S
Molecular Weight492.22 g/mol
Exact Mass489.95
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
SMILESO=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NC1CC1
InChIInChI=1S/C18H17BrCl2N2O3S/c19-13-2-7-16(8-3-13)27(25,26)23(11-18(24)22-15-5-6-15)10-12-1-4-14(20)9-17(12)21/h1-4,7-9,15H,5-6,10-11H2,(H,22,24)
InChIKeyRHTBEABURPYFES-UHFFFAOYSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1331653
4-bromo-N-[(2,4-dichlorophenyl)methyl]-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 126371825
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-tert-butylacetamide
CID 126371780
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 21372976
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(4-chloro-2-methylphenyl)acetamide
CID 126371814
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-cyclopentylacetamide
CID 1315881
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874588
2-[(4-bromophenyl)sulfonyl-[(4-chlorophenyl)methyl]amino]-N-[(2,4-dichlorophenyl)methyl]acetamide
CID 126085155
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 21372993
N-(3-bromophenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 126079248
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 137168117
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 99865843

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide (CID 126371963) is 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide is O=C(CN(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(Br)cc1)NC1CC1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide?
The InChIKey is RHTBEABURPYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrCl2N2O3S/c19-13-2-7-16(8-3-13)27(25,26)23(11-18(24)22-15-5-6-15)10-12-1-4-14(20)9-17(12)21/h1-4,7-9,15H,5-6,10-11H2,(H,22,24).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide?
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide has a molecular weight of 492.22 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 126371963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).