N-pentyl-4-phenylbenzenesulfonamide

C17H21NO2S — CID 3666440

IUPACN-pentyl-4-phenylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-7-14-18-21(19,20)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13,18H,2-3,7,14H2,1H3
InChIKeyPGZAUFVICUGFEZ-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.82
Rot. Bonds7

About N-pentyl-4-phenylbenzenesulfonamide

N-pentyl-4-phenylbenzenesulfonamide (PubChem CID 3666440) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-pentyl-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-pentyl-4-phenylbenzenesulfonamide
PubChem CID3666440
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-pentyl-4-phenylbenzenesulfonamide
SMILESCCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-2-3-7-14-18-21(19,20)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13,18H,2-3,7,14H2,1H3
InChIKeyPGZAUFVICUGFEZ-UHFFFAOYSA-N
XLogP3.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-tridecylbenzenesulfonamide
CID 3514704
N-(4-aminobutyl)-4-phenylbenzenesulfonamide
CID 11601917
N-[2-(ethylamino)ethyl]-4-phenylbenzenesulfonamide
CID 119973884
N-octyl-4-(5-phenyl-1,3-oxazol-2-yl)benzenesulfonamide
CID 19258829
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
N-(2-chloroethyl)-4-phenylbenzenesulfonamide
CID 162435603
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
N-nonylnaphthalene-2-sulfonamide
CID 19681387
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770
N-decyl-9,10-dioxoanthracene-2-sulfonamide
CID 18592937

Frequently Asked Questions

What is the IUPAC name of N-pentyl-4-phenylbenzenesulfonamide?
The IUPAC name of N-pentyl-4-phenylbenzenesulfonamide (CID 3666440) is N-pentyl-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-pentyl-4-phenylbenzenesulfonamide?
The canonical SMILES for N-pentyl-4-phenylbenzenesulfonamide is CCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-pentyl-4-phenylbenzenesulfonamide?
The InChIKey is PGZAUFVICUGFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-2-3-7-14-18-21(19,20)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13,18H,2-3,7,14H2,1H3.
What are the key properties of N-pentyl-4-phenylbenzenesulfonamide?
N-pentyl-4-phenylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentyl-4-phenylbenzenesulfonamide is sourced from PubChem (CID 3666440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).