N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide

C13H14N2O4S2 — CID 51097761

IUPACN-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H14N2O4S2/c14-20(16,17)10-11-5-4-6-12(9-11)15-21(18,19)13-7-2-1-3-8-13/h1-9,15H,10H2,(H2,14,16,17)
InChIKeySAPOLNKQPSIUDL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.28
Rot. Bonds5

About N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide

N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide (PubChem CID 51097761) has the molecular formula C13H14N2O4S2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
PubChem CID51097761
Molecular FormulaC13H14N2O4S2
Molecular Weight326.40 g/mol
Exact Mass326.04
IUPAC NameN-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C13H14N2O4S2/c14-20(16,17)10-11-5-4-6-12(9-11)15-21(18,19)13-7-2-1-3-8-13/h1-9,15H,10H2,(H2,14,16,17)
InChIKeySAPOLNKQPSIUDL-UHFFFAOYSA-N
XLogP1.28
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097762
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-[3-(3-aminopropyl)phenyl]benzenesulfonamide
CID 11849197
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-[3-[(E)-pent-3-enyl]phenyl]benzenesulfonamide
CID 141178655
N-[2-(benzenesulfonamido)phenyl]benzenesulfonamide;N-[4-(benzenesulfonamido)phenyl]benzenesulfonamide;1,3-bis(benzenesulfonylmethyl)benzene
CID 162165374
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
2-fluoroethanamine;N-phenylbenzenesulfonamide
CID 175323476

Frequently Asked Questions

What is the IUPAC name of N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide (CID 51097761) is N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide is NS(=O)(=O)Cc1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The InChIKey is SAPOLNKQPSIUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4S2/c14-20(16,17)10-11-5-4-6-12(9-11)15-21(18,19)13-7-2-1-3-8-13/h1-9,15H,10H2,(H2,14,16,17).
What are the key properties of N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide has a molecular weight of 326.40 g/mol, XLogP of 1.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 51097761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).