N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

C15H25NO4S — CID 115754460

IUPACN-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H25NO4S/c1-5-6-13(17)10-16-21(18,19)14-7-8-15(12(4)9-14)20-11(2)3/h7-9,11,13,16-17H,5-6,10H2,1-4H3
InChIKeyIOVUBNQRRMDNOZ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.22
Rot. Bonds8

About N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide

N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (PubChem CID 115754460) has the molecular formula C15H25NO4S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
PubChem CID115754460
Molecular FormulaC15H25NO4S
Molecular Weight315.44 g/mol
Exact Mass315.15
IUPAC NameN-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
SMILESCCCC(O)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1
InChIInChI=1S/C15H25NO4S/c1-5-6-13(17)10-16-21(18,19)14-7-8-15(12(4)9-14)20-11(2)3/h7-9,11,13,16-17H,5-6,10H2,1-4H3
InChIKeyIOVUBNQRRMDNOZ-UHFFFAOYSA-N
XLogP2.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-(3-hydroxybutyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 64911448
4-amino-N-(2-hydroxypentyl)-3-methylbenzenesulfonamide
CID 113495499
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
ethyl 2-[(3-methyl-4-propan-2-yloxyphenyl)sulfonylamino]acetate
CID 60817410
N-[2-(ethylamino)ethyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 62664770
N-hydroxy-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 82294732
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
N-(2-hydroxypentyl)-3,5-dimethylbenzenesulfonamide
CID 113496241
3,4-difluoro-N-(2-hydroxypentyl)benzenesulfonamide
CID 115754475
3-methyl-N-propan-2-yl-4-propan-2-yloxybenzenesulfonamide
CID 60764228
ethyl 4-(2-hydroxypentylsulfamoyl)benzoate
CID 115754497

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide (CID 115754460) is N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is CCCC(O)CNS(=O)(=O)c1ccc(OC(C)C)c(C)c1.
What is the InChIKey of N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is IOVUBNQRRMDNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4S/c1-5-6-13(17)10-16-21(18,19)14-7-8-15(12(4)9-14)20-11(2)3/h7-9,11,13,16-17H,5-6,10H2,1-4H3.
What are the key properties of N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide?
N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypentyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 115754460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).