3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide

C15H18N2O4S2 — CID 113094332

IUPAC3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O4S2/c1-12-5-4-6-15(11-12)23(20,21)16-13-7-9-14(10-8-13)17(2)22(3,18)19/h4-11,16H,1-3H3
InChIKeyNWXDAYIPXVZDQJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.19
Rot. Bonds5

About 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide

3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide (PubChem CID 113094332) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
PubChem CID113094332
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(N(C)S(C)(=O)=O)cc2)c1
InChIInChI=1S/C15H18N2O4S2/c1-12-5-4-6-15(11-12)23(20,21)16-13-7-9-14(10-8-13)17(2)22(3,18)19/h4-11,16H,1-3H3
InChIKeyNWXDAYIPXVZDQJ-UHFFFAOYSA-N
XLogP2.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide
CID 113094344
N-[4-[4-(dimethylamino)anilino]phenyl]-3-methylbenzenesulfonamide
CID 112988717
N-(4-chlorophenyl)-3-methylbenzenesulfonamide
CID 805135
4-[(3-methylphenyl)sulfonylamino]benzenesulfonic acid
CID 21052319
3-methyl-N-[4-(3-methylanilino)phenyl]benzenesulfonamide
CID 112986000
N-[4-(4-hydroxyphenyl)phenyl]-3-methylbenzenesulfonamide
CID 53324532
3-methyl-N-[4-[methyl(2-pyridin-4-ylethyl)amino]phenyl]benzenesulfonamide
CID 112983762
N-[4-(1-hydroxyethyl)phenyl]-3-methylbenzenesulfonamide
CID 43508584
3-methyl-N-(4-piperidin-1-ylphenyl)benzenesulfonamide
CID 5017994
3-methyl-N-(4-pyridin-4-yloxyphenyl)benzenesulfonamide
CID 47088040
N-[4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)phenyl]-3-methylbenzenesulfonamide
CID 112989275
N-(3-methylphenyl)-3-[3-[(3-methylphenyl)sulfamoyl]phenyl]sulfonylbenzenesulfonamide
CID 3091379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The IUPAC name of 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide (CID 113094332) is 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The canonical SMILES for 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(N(C)S(C)(=O)=O)cc2)c1.
What is the InChIKey of 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
The InChIKey is NWXDAYIPXVZDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c1-12-5-4-6-15(11-12)23(20,21)16-13-7-9-14(10-8-13)17(2)22(3,18)19/h4-11,16H,1-3H3.
What are the key properties of 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide?
3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide has a molecular weight of 354.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[methyl(methylsulfonyl)amino]phenyl]benzenesulfonamide is sourced from PubChem (CID 113094332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).