3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide

C14H14N2O5S2 — CID 26951365

IUPAC3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H14N2O5S2/c1-10(17)11-3-2-4-14(9-11)23(20,21)16-12-5-7-13(8-6-12)22(15,18)19/h2-9,16H,1H3,(H2,15,18,19)
InChIKeyDSHIRPGAHXPEEV-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.34
Rot. Bonds5

About 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide

3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide (PubChem CID 26951365) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
PubChem CID26951365
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C14H14N2O5S2/c1-10(17)11-3-2-4-14(9-11)23(20,21)16-12-5-7-13(8-6-12)22(15,18)19/h2-9,16H,1H3,(H2,15,18,19)
InChIKeyDSHIRPGAHXPEEV-UHFFFAOYSA-N
XLogP1.34
TPSA123.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
N-[4-[(3-acetylphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965624
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
3-[3-[(4-sulfamoylphenyl)sulfamoyl]phenyl]prop-2-enoic acid
CID 3530027
3-acetyl-N-(6-fluoro-3-pyridinyl)benzenesulfonamide
CID 103775761
3-acetyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 2486497
3-[(4-acetylphenyl)sulfamoyl]-N,N-diethylbenzamide
CID 109065110
N-(4-acetylphenyl)-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 47946202
N-(4-acetylphenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 26663686
3-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 834756
methyl 3-[(4-aminophenyl)sulfamoyl]benzoate
CID 21060733

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide (CID 26951365) is 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is DSHIRPGAHXPEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c1-10(17)11-3-2-4-14(9-11)23(20,21)16-12-5-7-13(8-6-12)22(15,18)19/h2-9,16H,1H3,(H2,15,18,19).
What are the key properties of 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide?
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 354.41 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 26951365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).