N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide

C16H26N2O5S — CID 15982143

IUPACN-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H26N2O5S/c1-2-3-4-5-6-7-8-9-12-24(22,23)17-15-11-10-14(19)13-16(15)18(20)21/h10-11,13,17,19H,2-9,12H2,1H3
InChIKeyNRDWZELJHAHDKA-UHFFFAOYSA-N
MW358.46 g/mol
LogP4.18
Rot. Bonds12

About N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide

N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide (PubChem CID 15982143) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide
PubChem CID15982143
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide
SMILESCCCCCCCCCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-]
InChIInChI=1S/C16H26N2O5S/c1-2-3-4-5-6-7-8-9-12-24(22,23)17-15-11-10-14(19)13-16(15)18(20)21/h10-11,13,17,19H,2-9,12H2,1H3
InChIKeyNRDWZELJHAHDKA-UHFFFAOYSA-N
XLogP4.18
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-nitrophenyl)propane-1-sulfonamide
CID 60640769
4-(heptan-2-ylamino)-3-nitrophenol
CID 43750764
N-(2-chloro-4-hydroxyphenyl)butane-1-sulfonamide
CID 64788344
N-(2-hydroxyphenyl)dodecane-1-sulfonamide
CID 3509562
N-[2-nitro-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 60640770
4-(methylamino)-3-nitrophenol
CID 22832045
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
3-nitro-4-(nonadecylamino)benzenesulfonic acid
CID 86063844
N-(4-chloro-2-nitrophenyl)ethanesulfonamide
CID 60642818
N-(5-chloro-2-hydroxyphenyl)dodecane-1-sulfonamide
CID 5122438
N-[3-hydroxy-2,2-dimethyl-7-nitro-4-(pentylamino)-3,4-dihydrochromen-6-yl]hexane-1-sulfonamide
CID 10140155
2-amino-N-(4-hydroxy-2-nitrophenyl)-4-methylsulfonylbutanamide
CID 43695982

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide (CID 15982143) is N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide is CCCCCCCCCCS(=O)(=O)Nc1ccc(O)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide?
The InChIKey is NRDWZELJHAHDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-2-3-4-5-6-7-8-9-12-24(22,23)17-15-11-10-14(19)13-16(15)18(20)21/h10-11,13,17,19H,2-9,12H2,1H3.
What are the key properties of N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide?
N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide has a molecular weight of 358.46 g/mol, XLogP of 4.18, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-nitrophenyl)decane-1-sulfonamide is sourced from PubChem (CID 15982143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).