4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide

C17H19NO5S2 — CID 102235339

IUPAC4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S2/c1-13-4-8-16(9-5-13)24(20,21)18(12-15(3)19)25(22,23)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3
InChIKeyQZFIKFOWWNKLQO-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.27
Rot. Bonds6

About 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide

4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide (PubChem CID 102235339) has the molecular formula C17H19NO5S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
PubChem CID102235339
Molecular FormulaC17H19NO5S2
Molecular Weight381.48 g/mol
Exact Mass381.07
IUPAC Name4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H19NO5S2/c1-13-4-8-16(9-5-13)24(20,21)18(12-15(3)19)25(22,23)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3
InChIKeyQZFIKFOWWNKLQO-UHFFFAOYSA-N
XLogP2.27
TPSA88.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-methylphenyl)sulfonyl-(2-oxopropyl)amino]acetate
CID 42874720
1,1,3,3-tetrakis-(4-methylphenyl)sulfonylurea
CID 91209973
N-(2-benzylprop-2-enyl)-4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide
CID 154709075
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555
methyl 2-[(4-methylphenyl)sulfonyl-propan-2-ylamino]acetate
CID 54942029
2-[3-[carboxymethyl-(4-methylphenyl)sulfonylamino]propyl-(4-methylphenyl)sulfonylamino]acetic acid
CID 71676651
2-(2,4,6-trimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 50891881
4-methyl-N,N-diphenacylbenzenesulfonamide
CID 13015122
2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetate
CID 7317776
N-(2-hydrazinyl-2-oxoethyl)-N,4-dimethylbenzenesulfonamide
CID 2302661
ethyl N-methyl-N-(4-methylphenyl)sulfonylcarbamate
CID 12963006
3-oxobutyl 4-methylbenzenesulfonate
CID 71361686

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide (CID 102235339) is 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide is CC(=O)CN(S(=O)(=O)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide?
The InChIKey is QZFIKFOWWNKLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5S2/c1-13-4-8-16(9-5-13)24(20,21)18(12-15(3)19)25(22,23)17-10-6-14(2)7-11-17/h4-11H,12H2,1-3H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide?
4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide has a molecular weight of 381.48 g/mol, XLogP of 2.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)sulfonyl-N-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 102235339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).