N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide

C16H25NO3S — CID 67517777

IUPACN-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide
SMILESC=CCC(CO)N(CCCCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-3-5-9-13-17(15(14-18)10-4-2)21(19,20)16-11-7-6-8-12-16/h4,6-8,11-12,15,18H,2-3,5,9-10,13-14H2,1H3
InChIKeyUHGSWOPDSBIXRY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.80
Rot. Bonds10

About N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide

N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide (PubChem CID 67517777) has the molecular formula C16H25NO3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide
PubChem CID67517777
Molecular FormulaC16H25NO3S
Molecular Weight311.45 g/mol
Exact Mass311.16
IUPAC NameN-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide
SMILESC=CCC(CO)N(CCCCC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H25NO3S/c1-3-5-9-13-17(15(14-18)10-4-2)21(19,20)16-11-7-6-8-12-16/h4,6-8,11-12,15,18H,2-3,5,9-10,13-14H2,1H3
InChIKeyUHGSWOPDSBIXRY-UHFFFAOYSA-N
XLogP2.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-3,4-dihydroxy-N-octylbenzenesulfonamide
CID 59350260
N-[4-[4-[benzenesulfonyl(pentyl)amino]phenyl]phenyl]-N-pentylbenzenesulfonamide
CID 118986815
4-(benzenesulfonyl)-2-methylhept-6-en-1-ol
CID 142673689
2-[methyl(pentyl)amino]pent-4-ene-1-sulfonic acid
CID 174712619
4-(bromomethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 65480215
N,N-dipropylbenzenesulfonamide
CID 4053954
benzenesulfonic acid;nonane
CID 158294552
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-methyl-N-(4-methylpent-3-enyl)benzenesulfonamide
CID 10667955
4-(2-chloroethyl)-N-pentyl-N-propan-2-ylbenzenesulfonamide
CID 63409305
4-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylbenzenesulfonamide
CID 55208489
N-hexyl-N-(1-hydroxyhexan-2-yl)isoquinoline-5-sulfonamide
CID 21278295
N,N-dipropylbenzenesulfonamide;dihydrochloride
CID 142038428

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide?
The IUPAC name of N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide (CID 67517777) is N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide.
What is the SMILES notation for N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide?
The canonical SMILES for N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide is C=CCC(CO)N(CCCCC)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide?
The InChIKey is UHGSWOPDSBIXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3S/c1-3-5-9-13-17(15(14-18)10-4-2)21(19,20)16-11-7-6-8-12-16/h4,6-8,11-12,15,18H,2-3,5,9-10,13-14H2,1H3.
What are the key properties of N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide?
N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide has a molecular weight of 311.45 g/mol, XLogP of 2.80, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypent-4-en-2-yl)-N-pentylbenzenesulfonamide is sourced from PubChem (CID 67517777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).