N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C17H26Cl2N2O2S — CID 70939562

IUPACN-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H26Cl2N2O2S/c1-17(2,3)24(22,23)21-14-7-4-12(5-8-14)11-20-16-9-6-13(18)10-15(16)19/h6,9-10,12,14,20-21H,4-5,7-8,11H2,1-3H3
InChIKeyOZJXKICIYKJKFU-UHFFFAOYSA-N
MW393.38 g/mol
LogP4.68
Rot. Bonds5

About N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939562) has the molecular formula C17H26Cl2N2O2S and a molecular weight of 393.38 g/mol. Its IUPAC name is N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70939562
Molecular FormulaC17H26Cl2N2O2S
Molecular Weight393.38 g/mol
Exact Mass392.11
IUPAC NameN-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H26Cl2N2O2S/c1-17(2,3)24(22,23)21-14-7-4-12(5-8-14)11-20-16-9-6-13(18)10-15(16)19/h6,9-10,12,14,20-21H,4-5,7-8,11H2,1-3H3
InChIKeyOZJXKICIYKJKFU-UHFFFAOYSA-N
XLogP4.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.38
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
N-[4-[[2-(2,4-dichlorophenyl)hydrazinyl]-hydroxymethyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70927847
2,4-dichloro-N-(cyclobutylmethyl)aniline
CID 65458024
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376594
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-3-methyl-N-propan-2-ylbenzamide
CID 59231550
N-[4-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376590
N-[4-[[3-(dimethylamino)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938718
N-[4-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2,3-difluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939615
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
2-chloro-N-(cyclopropylmethyl)-4-methoxyaniline
CID 130877520
N-[4-[[4-(4,5-dichloroimidazol-1-yl)anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70938882

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70939562) is N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is OZJXKICIYKJKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26Cl2N2O2S/c1-17(2,3)24(22,23)21-14-7-4-12(5-8-14)11-20-16-9-6-13(18)10-15(16)19/h6,9-10,12,14,20-21H,4-5,7-8,11H2,1-3H3.
What are the key properties of N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 393.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dichloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).