2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide

C14H19BrN2O3S — CID 1167474

IUPAC2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3S/c15-11-6-8-13(9-7-11)21(19,20)17(10-14(16)18)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,16,18)
InChIKeyBWEPJXUYRYKWLF-UHFFFAOYSA-N
MW375.29 g/mol
LogP2.26
Rot. Bonds5

About 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide (PubChem CID 1167474) has the molecular formula C14H19BrN2O3S and a molecular weight of 375.29 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
PubChem CID1167474
Molecular FormulaC14H19BrN2O3S
Molecular Weight375.29 g/mol
Exact Mass374.03
IUPAC Name2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
SMILESNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O3S/c15-11-6-8-13(9-7-11)21(19,20)17(10-14(16)18)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,16,18)
InChIKeyBWEPJXUYRYKWLF-UHFFFAOYSA-N
XLogP2.26
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.29
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 1342586
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-ethylacetamide
CID 4207935
2-[(5-bromo-2-methylphenyl)sulfonyl-cyclopentylamino]acetamide
CID 60539936
N-[(1S)-1-(4-bromophenyl)ethyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861140
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 2917382
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(4-ethylphenyl)acetamide
CID 126013240
4-bromo-N-(2-chloroethyl)-N-cyclobutylbenzenesulfonamide
CID 102873617
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-methylphenyl)acetamide
CID 1020198
N-[3,5-bis(trifluoromethyl)phenyl]-2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide
CID 43871742
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-(3-chlorophenyl)acetamide
CID 126010478
2-[cycloheptyl-(4-methylphenyl)sulfonylamino]acetate
CID 2095447
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 135580382

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide (CID 1167474) is 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide is NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
The InChIKey is BWEPJXUYRYKWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3S/c15-11-6-8-13(9-7-11)21(19,20)17(10-14(16)18)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2,(H2,16,18).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide?
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide has a molecular weight of 375.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]acetamide is sourced from PubChem (CID 1167474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).