2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide

C14H18BrNO4S — CID 106001891

IUPAC2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1C1CC1)c1ccc(CO)cc1Br
InChIInChI=1S/C14H18BrNO4S/c15-11-7-9(8-17)1-4-13(11)21(18,19)16-12-5-6-20-14(12)10-2-3-10/h1,4,7,10,12,14,16-17H,2-3,5-6,8H2
InChIKeyPOAZQDKCHYUJEH-UHFFFAOYSA-N
MW376.27 g/mol
LogP1.79
Rot. Bonds5

About 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide

2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide (PubChem CID 106001891) has the molecular formula C14H18BrNO4S and a molecular weight of 376.27 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
PubChem CID106001891
Molecular FormulaC14H18BrNO4S
Molecular Weight376.27 g/mol
Exact Mass375.01
IUPAC Name2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOC1C1CC1)c1ccc(CO)cc1Br
InChIInChI=1S/C14H18BrNO4S/c15-11-7-9(8-17)1-4-13(11)21(18,19)16-12-5-6-20-14(12)10-2-3-10/h1,4,7,10,12,14,16-17H,2-3,5-6,8H2
InChIKeyPOAZQDKCHYUJEH-UHFFFAOYSA-N
XLogP1.79
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyloxolan-3-yl)-1-[3-(hydroxymethyl)phenyl]methanesulfonamide
CID 106001921
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106092477
2,4-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82736291
2-bromo-4-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 106002108
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178
4-(aminomethyl)-2-bromo-N-(2-methyloxan-4-yl)benzenesulfonamide
CID 106093875
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
4-amino-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 104600155
[3-bromo-4-(oxetan-3-ylsulfonyl)phenyl]methanol
CID 117492183
2-bromo-4-(hydroxymethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106377879
N-[(3-bromo-4-methylphenyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103880746
2-bromo-N-[2-[cyclopropyl(methyl)amino]propyl]-4-(hydroxymethyl)benzenesulfonamide
CID 106013854

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide (CID 106001891) is 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide is O=S(=O)(NC1CCOC1C1CC1)c1ccc(CO)cc1Br.
What is the InChIKey of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide?
The InChIKey is POAZQDKCHYUJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4S/c15-11-7-9(8-17)1-4-13(11)21(18,19)16-12-5-6-20-14(12)10-2-3-10/h1,4,7,10,12,14,16-17H,2-3,5-6,8H2.
What are the key properties of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide?
2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide has a molecular weight of 376.27 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106001891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).