N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

C19H34N2O3S — CID 14891458

IUPACN-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SMILESCCCCCCCN(C)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H34N2O3S/c1-4-5-6-7-8-15-21(2)16-9-10-19(22)17-11-13-18(14-12-17)20-25(3,23)24/h11-14,19-20,22H,4-10,15-16H2,1-3H3
InChIKeyVUZLGMLWLLTWNR-UHFFFAOYSA-N
MW370.56 g/mol
LogP3.77
Rot. Bonds13

About N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide

N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (PubChem CID 14891458) has the molecular formula C19H34N2O3S and a molecular weight of 370.56 g/mol. Its IUPAC name is N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
PubChem CID14891458
Molecular FormulaC19H34N2O3S
Molecular Weight370.56 g/mol
Exact Mass370.23
IUPAC NameN-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
SMILESCCCCCCCN(C)CCCC(O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H34N2O3S/c1-4-5-6-7-8-15-21(2)16-9-10-19(22)17-11-13-18(14-12-17)20-25(3,23)24/h11-14,19-20,22H,4-10,15-16H2,1-3H3
InChIKeyVUZLGMLWLLTWNR-UHFFFAOYSA-N
XLogP3.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 53.77
H-Bond Donors ≤ 52
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-[(1S)-4-[7,7-difluoroheptyl(ethyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 10812091
1-[4-[decyl(ethyl)amino]-1-hydroxybutyl]-4-(sulfamoylamino)benzene
CID 70411210
N-[3-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 14891471
(E)-but-2-enedioic acid;N-[4-[4-[ethyl-[(6S)-6-fluoroheptyl]amino]-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70301359
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide
CID 70410687
(E)-but-2-enedioate;bis(ethyl-heptyl-[4-hydroxy-4-[4-(methanesulfonamido)phenyl]butyl]azanium)
CID 24820163
N-[4-[2-[ethyl(heptyl)amino]-1-hydroxyethyl]phenyl]ethanesulfonamide
CID 70412176
N-[4-[4-(1-butylazepan-1-ium-1-yl)-1-hydroxybutyl]phenyl]methanesulfonamide bromide
CID 70410686
N-[4-(2-hexylimino-1-hydroxyethyl)phenyl]methanesulfonamide
CID 70412164
(4S)-N-ethyl-4-hydroxy-4-[4-(methanesulfonamido)phenyl]butanamide
CID 10685624
1-(4-methylsulfonylphenyl)heptan-1-ol
CID 115783500
N-[4-[4-[2-[4-(methanesulfonamido)phenyl]ethyl-methylamino]butyl]phenyl]methanesulfonamide
CID 14645113

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide (CID 14891458) is N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide is CCCCCCCN(C)CCCC(O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
The InChIKey is VUZLGMLWLLTWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O3S/c1-4-5-6-7-8-15-21(2)16-9-10-19(22)17-11-13-18(14-12-17)20-25(3,23)24/h11-14,19-20,22H,4-10,15-16H2,1-3H3.
What are the key properties of N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide?
N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide has a molecular weight of 370.56 g/mol, XLogP of 3.77, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[heptyl(methyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14891458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).