N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide

C14H21NO4S — CID 102704121

IUPACN-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C14H21NO4S/c1-10(12-4-5-12)8-15-20(17,18)14-6-3-11(9-16)7-13(14)19-2/h3,6-7,10,12,15-16H,4-5,8-9H2,1-2H3
InChIKeyBHMVVVJIDSWVEB-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.51
Rot. Bonds7

About N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide

N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide (PubChem CID 102704121) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
PubChem CID102704121
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC NameN-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(CO)ccc1S(=O)(=O)NCC(C)C1CC1
InChIInChI=1S/C14H21NO4S/c1-10(12-4-5-12)8-15-20(17,18)14-6-3-11(9-16)7-13(14)19-2/h3,6-7,10,12,15-16H,4-5,8-9H2,1-2H3
InChIKeyBHMVVVJIDSWVEB-UHFFFAOYSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102703982
4-(hydroxymethyl)-2-methoxy-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 102704119
4-[(cyclopropylamino)methyl]-2-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 102704471
4-(ethylaminomethyl)-2-methoxy-N-(2-methoxypropyl)benzenesulfonamide
CID 102704782
2-bromo-N-(2-cyclopropylpropyl)-5-(hydroxymethyl)-3-methylbenzenesulfonamide
CID 114363295
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
4-(hydroxymethyl)-2-methoxy-N-(3-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001705
5-bromo-N-(2-cyclopropylpropyl)-2-methylbenzenesulfonamide
CID 113226818
N-[(4-bromothiophen-2-yl)methyl]-4-(hydroxymethyl)-2-methoxybenzenesulfonamide
CID 102704070
4-amino-N-(2-cyclopropylpropyl)-2-fluorobenzenesulfonamide
CID 113474881

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide (CID 102704121) is N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide is COc1cc(CO)ccc1S(=O)(=O)NCC(C)C1CC1.
What is the InChIKey of N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
The InChIKey is BHMVVVJIDSWVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-10(12-4-5-12)8-15-20(17,18)14-6-3-11(9-16)7-13(14)19-2/h3,6-7,10,12,15-16H,4-5,8-9H2,1-2H3.
What are the key properties of N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide?
N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropylpropyl)-4-(hydroxymethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 102704121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).