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

C14H16N2O4S2 — CID 51097762

IUPAC3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CS(N)(=O)=O)c2)c1
InChIInChI=1S/C14H16N2O4S2/c1-11-4-2-7-14(8-11)22(19,20)16-13-6-3-5-12(9-13)10-21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyYKWCBIHAOHQILQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.58
Rot. Bonds5

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

3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide (PubChem CID 51097762) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
PubChem CID51097762
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2cccc(CS(N)(=O)=O)c2)c1
InChIInChI=1S/C14H16N2O4S2/c1-11-4-2-7-14(8-11)22(19,20)16-13-6-3-5-12(9-13)10-21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18)
InChIKeyYKWCBIHAOHQILQ-UHFFFAOYSA-N
XLogP1.58
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
3-methyl-N-[3-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 91650297
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379
[3-(methylamino)phenyl]methanesulfonamide
CID 71121973
3-methyl-N-[3-(1,2,4-triazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 166187501
N-(4-amino-3-bromophenyl)-3-methylbenzenesulfonamide
CID 82861740
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
1-(3-methylphenyl)-N-(3-methylsulfonylphenyl)methanesulfonamide
CID 110779468
3-methyl-N-(3-pyrrol-1-ylphenyl)benzenesulfonamide
CID 51135051
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
3-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 889782
4-methyl-N-(3-methylphenyl)benzenesulfonamide fluoride
CID 21210525

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide (CID 51097762) is 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2cccc(CS(N)(=O)=O)c2)c1.
What is the InChIKey of 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
The InChIKey is YKWCBIHAOHQILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c1-11-4-2-7-14(8-11)22(19,20)16-13-6-3-5-12(9-13)10-21(15,17)18/h2-9,16H,10H2,1H3,(H2,15,17,18).
What are the key properties of 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide?
3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 51097762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).