N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide

C18H24N2O4S2 — CID 113068891

IUPACN-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-14-6-9-17(10-7-14)26(23,24)19-11-12-20(25(4,21)22)18-13-15(2)5-8-16(18)3/h5-10,13,19H,11-12H2,1-4H3
InChIKeyWCBBOJXDTFZFHV-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.36
Rot. Bonds7

About N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide

N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide (PubChem CID 113068891) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
PubChem CID113068891
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1
InChIInChI=1S/C18H24N2O4S2/c1-14-6-9-17(10-7-14)26(23,24)19-11-12-20(25(4,21)22)18-13-15(2)5-8-16(18)3/h5-10,13,19H,11-12H2,1-4H3
InChIKeyWCBBOJXDTFZFHV-UHFFFAOYSA-N
XLogP2.36
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.36
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
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]butane-1-sulfonamide
CID 113068888
4-ethyl-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068757
N-[2-(4-ethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide
CID 113069281
4-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068589
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 113065645
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]ethyl-propan-2-ylamino]ethyl]benzenesulfonamide
CID 3989859
N-[2-(dimethylamino)ethyl]-4-methylbenzenesulfonamide;propane
CID 143460096
4-methyl-N-[2-[(3-methylphenyl)methyl-methylsulfonylamino]ethyl]benzenesulfonamide
CID 113066743
2,5-dimethyl-N-[2-(N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113068496
N-[2-[2-[bis[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]-4-methylbenzenesulfonamide;cyclopropane
CID 160936209
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]benzenesulfonamide
CID 113069714

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide (CID 113068891) is N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN(c2cc(C)ccc2C)S(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is WCBBOJXDTFZFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-14-6-9-17(10-7-14)26(23,24)19-11-12-20(25(4,21)22)18-13-15(2)5-8-16(18)3/h5-10,13,19H,11-12H2,1-4H3.
What are the key properties of N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide?
N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 396.53 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 113068891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).