4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide

C18H24N2O4S2 — CID 113066743

IUPAC4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(Cc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-15-7-9-18(10-8-15)26(23,24)19-11-12-20(25(3,21)22)14-17-6-4-5-16(2)13-17/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyTXXVKBRHSMSSAE-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.04
Rot. Bonds8

About 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide

4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide (PubChem CID 113066743) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide
PubChem CID113066743
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(Cc2cccc(C)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-15-7-9-18(10-8-15)26(23,24)19-11-12-20(25(3,21)22)14-17-6-4-5-16(2)13-17/h4-10,13,19H,11-12,14H2,1-3H3
InChIKeyTXXVKBRHSMSSAE-UHFFFAOYSA-N
XLogP2.04
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 3245216
3-methyl-N-[2-[methylsulfonyl(pyridin-4-ylmethyl)amino]ethyl]benzenesulfonamide
CID 113067479
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-2-phenylacetamide
CID 113066708
N-[(4-methylphenyl)methyl]-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138877
N-[2-[benzyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 71677105
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-N-[(3-methylphenyl)methyl]acetamide
CID 113054288
N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]-3-phenylpropanamide
CID 113066712
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113068891
2-(2-fluorophenyl)-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]acetamide
CID 113066723
3-methoxy-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzamide
CID 113066703
N-(4-chlorophenyl)-3-[(3-methylphenyl)methyl-methylsulfonylamino]propanamide
CID 113138932
N-[2-[(4-fluorophenyl)methyl-methylsulfonylamino]ethyl]-2-(3-methylphenyl)acetamide
CID 113066979

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide (CID 113066743) is 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN(Cc2cccc(C)c2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide?
The InChIKey is TXXVKBRHSMSSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-15-7-9-18(10-8-15)26(23,24)19-11-12-20(25(3,21)22)14-17-6-4-5-16(2)13-17/h4-10,13,19H,11-12,14H2,1-3H3.
What are the key properties of 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide?
4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide is sourced from PubChem (CID 113066743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).