2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide

C14H13BrN2O3S2 — CID 9068095

IUPAC2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O3S2/c15-10-4-3-5-11(8-10)22(19,20)17-12-6-1-2-7-13(12)21-9-14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeySMUOBBVSLQEQEK-UHFFFAOYSA-N
MW401.31 g/mol
LogP2.83
Rot. Bonds6

About 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide

2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide (PubChem CID 9068095) has the molecular formula C14H13BrN2O3S2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
PubChem CID9068095
Molecular FormulaC14H13BrN2O3S2
Molecular Weight401.31 g/mol
Exact Mass399.96
IUPAC Name2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1
InChIInChI=1S/C14H13BrN2O3S2/c15-10-4-3-5-11(8-10)22(19,20)17-12-6-1-2-7-13(12)21-9-14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeySMUOBBVSLQEQEK-UHFFFAOYSA-N
XLogP2.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068061
2-[2-[(4-fluorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068049
2-[2-[(4-propan-2-ylphenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068075
2-[2-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]phenyl]sulfanylacetamide
CID 9068077
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
CID 7670731
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]acetic acid
CID 62534954
2-[2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 8840935
2-[2-[(2-chloro-1,3-thiazol-5-yl)sulfonylamino]phenyl]sulfanylacetamide
CID 61052007
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
2-[(3-bromophenyl)sulfonylamino]-2-phenylethanethioamide
CID 61124489
3-acetyl-N-(2-benzylsulfanylphenyl)benzenesulfonamide
CID 8824193

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide (CID 9068095) is 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NS(=O)(=O)c1cccc(Br)c1.
What is the InChIKey of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide?
The InChIKey is SMUOBBVSLQEQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S2/c15-10-4-3-5-11(8-10)22(19,20)17-12-6-1-2-7-13(12)21-9-14(16)18/h1-8,17H,9H2,(H2,16,18).
What are the key properties of 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide?
2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide has a molecular weight of 401.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-bromophenyl)sulfonylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 9068095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).