N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide

C13H20FN3O2S — CID 79459138

IUPACN-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCCC(N)C2)ccc1F
InChIInChI=1S/C13H20FN3O2S/c1-20(18,19)17-13-8-11(5-6-12(13)14)16-10-4-2-3-9(15)7-10/h5-6,8-10,16-17H,2-4,7,15H2,1H3
InChIKeyNPVCZYBEENCDTN-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.88
Rot. Bonds4

About N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide

N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide (PubChem CID 79459138) has the molecular formula C13H20FN3O2S and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
PubChem CID79459138
Molecular FormulaC13H20FN3O2S
Molecular Weight301.39 g/mol
Exact Mass301.13
IUPAC NameN-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(NC2CCCC(N)C2)ccc1F
InChIInChI=1S/C13H20FN3O2S/c1-20(18,19)17-13-8-11(5-6-12(13)14)16-10-4-2-3-9(15)7-10/h5-6,8-10,16-17H,2-4,7,15H2,1H3
InChIKeyNPVCZYBEENCDTN-UHFFFAOYSA-N
XLogP1.88
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-aminocyclohexyl)amino]phenyl]methanesulfonamide
CID 79458470
1-N-(3-fluoro-4-methylphenyl)cyclohexane-1,3-diamine
CID 79459008
1-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexane-1,3-diamine
CID 79458677
3-amino-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 66009570
1-N-(5-chloro-2-fluorophenyl)cyclohexane-1,3-diamine
CID 79459416
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727389
3-N-(3-fluoro-4-methylphenyl)cyclopentane-1,3-diamine
CID 79462820
1-N-(2-fluorophenyl)cyclohexane-1,3-diamine
CID 79458440
N-[5-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-fluorophenyl]methanesulfonamide
CID 105364190
1-N-(3-aminocyclohexyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 113297656
N-(4-aminocyclohexyl)-4-fluoro-3-(methanesulfonamido)benzamide
CID 119475981
3-bromo-N-(3-ethylcyclohexyl)-4-fluoroaniline
CID 113451910

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide (CID 79459138) is N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide is CS(=O)(=O)Nc1cc(NC2CCCC(N)C2)ccc1F.
What is the InChIKey of N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide?
The InChIKey is NPVCZYBEENCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2S/c1-20(18,19)17-13-8-11(5-6-12(13)14)16-10-4-2-3-9(15)7-10/h5-6,8-10,16-17H,2-4,7,15H2,1H3.
What are the key properties of N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide?
N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide has a molecular weight of 301.39 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-aminocyclohexyl)amino]-2-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 79459138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).