N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

C19H32FN3O2S — CID 70939338

IUPACN-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C19H32FN3O2S/c1-19(2,3)26(24,25)23-18-8-4-15(5-9-18)14-21-12-13-22-17-10-6-16(20)7-11-17/h6-7,10-11,15,18,21-23H,4-5,8-9,12-14H2,1-3H3
InChIKeyPOGWYTJOXHLGTI-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.10
Rot. Bonds8

About N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide

N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (PubChem CID 70939338) has the molecular formula C19H32FN3O2S and a molecular weight of 385.55 g/mol. Its IUPAC name is N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
PubChem CID70939338
Molecular FormulaC19H32FN3O2S
Molecular Weight385.55 g/mol
Exact Mass385.22
IUPAC NameN-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
SMILESCC(C)(C)S(=O)(=O)NC1CCC(CNCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C19H32FN3O2S/c1-19(2,3)26(24,25)23-18-8-4-15(5-9-18)14-21-12-13-22-17-10-6-16(20)7-11-17/h6-7,10-11,15,18,21-23H,4-5,8-9,12-14H2,1-3H3
InChIKeyPOGWYTJOXHLGTI-UHFFFAOYSA-N
XLogP3.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(4-chloroanilino)methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70939433
2-methyl-N-[4-[(4-propan-2-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938806
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-cyclohexylbenzenesulfonamide
CID 70939108
N-[4-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376519
4-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-N-propan-2-ylbenzenesulfonamide
CID 70939054
N-[4-[[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-fluoroanilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 118376590
N-[4-[[4-[(5R)-3,5-dimethylpiperidin-1-yl]anilino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide
CID 70910997
3-[[4-(tert-butylsulfonylamino)cyclohexyl]methylamino]-5-fluoro-N,N-dimethylbenzamide
CID 59231268
2-methyl-N-[4-[[4-(tetrazol-2-yl)anilino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70938893
2-methyl-N-[4-[[(2-methyl-1,3-dioxoisoindol-5-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 70939068
2-methyl-N-[4-[(3-morpholin-4-ylpropylamino)methyl]cyclohexyl]propane-2-sulfonamide
CID 70938726
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-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The IUPAC name of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide (CID 70939338) is N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is CC(C)(C)S(=O)(=O)NC1CCC(CNCCNc2ccc(F)cc2)CC1.
What is the InChIKey of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
The InChIKey is POGWYTJOXHLGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32FN3O2S/c1-19(2,3)26(24,25)23-18-8-4-15(5-9-18)14-21-12-13-22-17-10-6-16(20)7-11-17/h6-7,10-11,15,18,21-23H,4-5,8-9,12-14H2,1-3H3.
What are the key properties of N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide?
N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide has a molecular weight of 385.55 g/mol, XLogP of 3.10, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(4-fluoroanilino)ethylamino]methyl]cyclohexyl]-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 70939338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).