N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide

C13H19ClN2O2S — CID 86790165

IUPACN-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
SMILESC=CCCC(C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-4-5-6-10(2)15-11-7-8-13(12(14)9-11)16-19(3,17)18/h4,7-10,15-16H,1,5-6H2,2-3H3
InChIKeyIICIIYVCGVSXLN-UHFFFAOYSA-N
MW302.83 g/mol
LogP3.48
Rot. Bonds7

About N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide

N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide (PubChem CID 86790165) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
PubChem CID86790165
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC NameN-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
SMILESC=CCCC(C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C13H19ClN2O2S/c1-4-5-6-10(2)15-11-7-8-13(12(14)9-11)16-19(3,17)18/h4,7-10,15-16H,1,5-6H2,2-3H3
InChIKeyIICIIYVCGVSXLN-UHFFFAOYSA-N
XLogP3.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-chloro-4-(propan-2-ylamino)phenyl]methanesulfonamide
CID 43744799
N-[2-chloro-4-(3-methylbutan-2-ylamino)phenyl]methanesulfonamide
CID 43744787
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
N-[3-chloro-4-(methanesulfonamido)phenyl]methanesulfonamide
CID 5120140
4-chloro-N-hex-5-en-2-yl-3-methoxyaniline
CID 107270538
N-[2-chloro-4-[(3-hydroxy-3-methylbutan-2-yl)amino]phenyl]methanesulfonamide
CID 65337880
3-chloro-N-hex-5-en-2-yl-4-propoxyaniline
CID 113437888
N-[4-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104584017
N-[5-(hex-5-en-2-ylamino)-2-methylphenyl]acetamide
CID 104583832
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
N-[3-chloro-4-(methanesulfonamido)phenyl]-4-(3-methylbutyl)benzenesulfonamide
CID 35545776

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide (CID 86790165) is N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide is C=CCCC(C)Nc1ccc(NS(C)(=O)=O)c(Cl)c1.
What is the InChIKey of N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide?
The InChIKey is IICIIYVCGVSXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-4-5-6-10(2)15-11-7-8-13(12(14)9-11)16-19(3,17)18/h4,7-10,15-16H,1,5-6H2,2-3H3.
What are the key properties of N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide?
N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 86790165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).