2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

C14H13BrN2O3S2 — CID 27087506

IUPAC2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O3S2/c15-12-3-1-2-4-13(12)21-9-14(18)17-10-5-7-11(8-6-10)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyHDNWRANWTMMSPS-UHFFFAOYSA-N
MW401.31 g/mol
LogP2.83
Rot. Bonds5

About 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide

2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (PubChem CID 27087506) has the molecular formula C14H13BrN2O3S2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
PubChem CID27087506
Molecular FormulaC14H13BrN2O3S2
Molecular Weight401.31 g/mol
Exact Mass399.96
IUPAC Name2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2Br)cc1
InChIInChI=1S/C14H13BrN2O3S2/c15-12-3-1-2-4-13(12)21-9-14(18)17-10-5-7-11(8-6-10)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyHDNWRANWTMMSPS-UHFFFAOYSA-N
XLogP2.83
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-bromophenyl)sulfanyl-N-[4-(difluoromethylsulfonyl)phenyl]acetamide
CID 42041858
2-(8-chloronaphthalen-1-yl)sulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 9314399
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]sulfanylphenyl]-2-phenylacetamide
CID 23094842
2-naphthalen-2-ylsulfanyl-N-(4-sulfamoylphenyl)acetamide
CID 2225782
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-(3,5-dichloroanilino)-2-oxoethyl]sulfanylbenzoate
CID 4841505
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate
CID 55308510
N-(4-bromophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591716
2-(4-bromoanilino)-N-(4-sulfamoylphenyl)acetamide
CID 4806491
3-amino-N-(4-sulfamoylphenyl)propanamide
CID 10776616
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 2107113
2-(2-hydroxyphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 80723230
4-phenylsulfanyl-N-(4-sulfamoylphenyl)butanamide
CID 12954886

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide (CID 27087506) is 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2Br)cc1.
What is the InChIKey of 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is HDNWRANWTMMSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S2/c15-12-3-1-2-4-13(12)21-9-14(18)17-10-5-7-11(8-6-10)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide?
2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 401.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)sulfanyl-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 27087506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).