3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide

C11H14BrNO4S — CID 115902962

IUPAC3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(CO)CC2)cc1Br
InChIInChI=1S/C11H14BrNO4S/c1-17-10-3-2-8(6-9(10)12)18(15,16)13-11(7-14)4-5-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyAZVSDPOFKGDXHK-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.26
Rot. Bonds5

About 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide

3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide (PubChem CID 115902962) has the molecular formula C11H14BrNO4S and a molecular weight of 336.21 g/mol. Its IUPAC name is 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide
PubChem CID115902962
Molecular FormulaC11H14BrNO4S
Molecular Weight336.21 g/mol
Exact Mass334.98
IUPAC Name3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2(CO)CC2)cc1Br
InChIInChI=1S/C11H14BrNO4S/c1-17-10-3-2-8(6-9(10)12)18(15,16)13-11(7-14)4-5-11/h2-3,6,13-14H,4-5,7H2,1H3
InChIKeyAZVSDPOFKGDXHK-UHFFFAOYSA-N
XLogP1.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[1-(hydroxymethyl)cyclopropyl]-3-methylbenzenesulfonamide
CID 115902821
3-bromo-4-methoxy-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723853
4-N-[1-(hydroxymethyl)cyclopropyl]-1-N-methylbenzene-1,4-disulfonamide
CID 115902832
3-bromo-4-methoxybenzenesulfonic acid;hydrochloride
CID 174435857
5-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-2-methoxybenzenesulfonamide
CID 106299135
3-bromo-4-methoxy-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107270998
N-[1-(hydroxymethyl)cyclobutyl]-2,5-dimethoxybenzenesulfonamide
CID 115902986
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 115903060
3-bromo-N-(6-hydroxyhexyl)-4-methoxybenzenesulfonamide
CID 103918422
3-bromo-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-methoxybenzenesulfonamide
CID 105420140
3-(hydroxymethyl)-4-methoxy-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106218479
3-bromo-N-(2,2-difluoro-3-hydroxypropyl)-4-methoxybenzenesulfonamide
CID 104858845

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide (CID 115902962) is 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2(CO)CC2)cc1Br.
What is the InChIKey of 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide?
The InChIKey is AZVSDPOFKGDXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4S/c1-17-10-3-2-8(6-9(10)12)18(15,16)13-11(7-14)4-5-11/h2-3,6,13-14H,4-5,7H2,1H3.
What are the key properties of 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide?
3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide has a molecular weight of 336.21 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-(hydroxymethyl)cyclopropyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 115902962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).