N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide

C15H25NO3S — CID 61466426

IUPACN-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-8-12(2)16-20(18,19)15-10-7-9-14(11-15)13(3)17/h7,9-13,16-17H,4-6,8H2,1-3H3
InChIKeyDEDSVVASXWMXJA-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.99
Rot. Bonds8

About N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide

N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide (PubChem CID 61466426) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
PubChem CID61466426
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC NameN-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide
SMILESCCCCCC(C)NS(=O)(=O)c1cccc(C(C)O)c1
InChIInChI=1S/C15H25NO3S/c1-4-5-6-8-12(2)16-20(18,19)15-10-7-9-14(11-15)13(3)17/h7,9-13,16-17H,4-6,8H2,1-3H3
InChIKeyDEDSVVASXWMXJA-UHFFFAOYSA-N
XLogP2.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340
3-(heptan-2-ylsulfamoyl)benzoic acid
CID 43398472
N-hexan-2-yl-3-propanoylbenzenesulfonamide
CID 62200821
3-acetyl-N-hexan-2-ylbenzenesulfonamide
CID 62200637
3-(1-hydroxyethyl)-N-(1-phenylethyl)benzenesulfonamide
CID 43507304
N-pentan-2-yl-3-propanoylbenzenesulfonamide
CID 60872867
3-[3-(hexan-2-ylsulfamoyl)phenyl]prop-2-enoic acid
CID 76936994
4-(heptan-2-ylsulfamoyl)benzoic acid
CID 43420676
4-(aminomethyl)-N-octan-2-ylbenzenesulfonamide
CID 61476963
4-amino-3-chloro-N-heptan-2-ylbenzenesulfonamide
CID 115329836
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497
4-amino-N-octan-2-ylbenzenesulfonamide
CID 61476612

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide?
The IUPAC name of N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide (CID 61466426) is N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide is CCCCCC(C)NS(=O)(=O)c1cccc(C(C)O)c1.
What is the InChIKey of N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide?
The InChIKey is DEDSVVASXWMXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-5-6-8-12(2)16-20(18,19)15-10-7-9-14(11-15)13(3)17/h7,9-13,16-17H,4-6,8H2,1-3H3.
What are the key properties of N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide?
N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-3-(1-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 61466426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).