4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide

C14H15BrN2O4S2 — CID 24650335

IUPAC4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)ccc1Br
InChIInChI=1S/C14H15BrN2O4S2/c1-10-8-13(6-7-14(10)15)23(20,21)17-12-4-2-11(3-5-12)9-22(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyXCIIFYPSRUUKSO-UHFFFAOYSA-N
MW419.32 g/mol
LogP2.35
Rot. Bonds5

About 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide

4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide (PubChem CID 24650335) has the molecular formula C14H15BrN2O4S2 and a molecular weight of 419.32 g/mol. Its IUPAC name is 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
PubChem CID24650335
Molecular FormulaC14H15BrN2O4S2
Molecular Weight419.32 g/mol
Exact Mass417.97
IUPAC Name4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)ccc1Br
InChIInChI=1S/C14H15BrN2O4S2/c1-10-8-13(6-7-14(10)15)23(20,21)17-12-4-2-11(3-5-12)9-22(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19)
InChIKeyXCIIFYPSRUUKSO-UHFFFAOYSA-N
XLogP2.35
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-5-[[4-(sulfamoylmethyl)phenyl]sulfamoyl]benzoate
CID 47066316
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-N-(3-ethylphenyl)-3-methylbenzenesulfonamide
CID 60641368
4-bromo-N-(3,5-difluorophenyl)-3-methylbenzenesulfonamide
CID 35940070
4-bromo-N-(3-iodophenyl)-3-methylbenzenesulfonamide
CID 60640765
4-bromo-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 42998830
5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
CID 35546879
N-[4-(chloromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 65031273
4-bromo-N-(3-fluorophenyl)-3-methylbenzenesulfonamide
CID 7938634
3-amino-4-bromo-N-[4-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 115329060

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide (CID 24650335) is 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(CS(N)(=O)=O)cc2)ccc1Br.
What is the InChIKey of 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The InChIKey is XCIIFYPSRUUKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O4S2/c1-10-8-13(6-7-14(10)15)23(20,21)17-12-4-2-11(3-5-12)9-22(16,18)19/h2-8,17H,9H2,1H3,(H2,16,18,19).
What are the key properties of 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide?
4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide has a molecular weight of 419.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 24650335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).