4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide

C14H23NO3S — CID 61470475

IUPAC4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)5-4-6-12(3)15-19(17,18)14-9-7-13(16)8-10-14/h7-12,15-16H,4-6H2,1-3H3
InChIKeyBCTBTFROQUPHAX-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.89
Rot. Bonds7

About 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide

4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide (PubChem CID 61470475) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
PubChem CID61470475
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide
SMILESCC(C)CCCC(C)NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C14H23NO3S/c1-11(2)5-4-6-12(3)15-19(17,18)14-9-7-13(16)8-10-14/h7-12,15-16H,4-6H2,1-3H3
InChIKeyBCTBTFROQUPHAX-UHFFFAOYSA-N
XLogP2.89
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(2R)-6-methylheptan-2-yl]benzenesulfonamide
CID 2289585
N-[4-[[(2S)-6-methylheptan-2-yl]sulfamoyl]phenyl]acetamide
CID 2286865
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-(methylaminomethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470913
4-methoxy-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 19681894
N-(6-methylheptan-2-yl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154344
N-(6-methylheptan-2-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 18287855
4-(5-methylhexan-2-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958176
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720
2-chloro-N-(6-methylheptan-2-yl)pyrimidine-5-sulfonamide
CID 61051308
2-amino-N-(6-methylheptan-2-yl)pyridine-4-sulfonamide
CID 62153139
6-[(4-bromophenyl)sulfonylamino]-2-methylheptanoic acid
CID 65284826

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide (CID 61470475) is 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide is CC(C)CCCC(C)NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
The InChIKey is BCTBTFROQUPHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-11(2)5-4-6-12(3)15-19(17,18)14-9-7-13(16)8-10-14/h7-12,15-16H,4-6H2,1-3H3.
What are the key properties of 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide?
4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(6-methylheptan-2-yl)benzenesulfonamide is sourced from PubChem (CID 61470475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).