3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide

C14H20BrNO4S — CID 102847558

IUPAC3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCO)C2CCC2)cc1Br
InChIInChI=1S/C14H20BrNO4S/c1-20-14-7-6-12(10-13(14)15)21(18,19)16(8-3-9-17)11-4-2-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3
InChIKeyQREHOCIBIFPBJJ-UHFFFAOYSA-N
MW378.29 g/mol
LogP2.38
Rot. Bonds7

About 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide

3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide (PubChem CID 102847558) has the molecular formula C14H20BrNO4S and a molecular weight of 378.29 g/mol. Its IUPAC name is 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
PubChem CID102847558
Molecular FormulaC14H20BrNO4S
Molecular Weight378.29 g/mol
Exact Mass377.03
IUPAC Name3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CCCO)C2CCC2)cc1Br
InChIInChI=1S/C14H20BrNO4S/c1-20-14-7-6-12(10-13(14)15)21(18,19)16(8-3-9-17)11-4-2-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3
InChIKeyQREHOCIBIFPBJJ-UHFFFAOYSA-N
XLogP2.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-(2-hydroxyethyl)-3,4-dimethoxybenzenesulfonamide
CID 43577523
N-cyclobutyl-N-(3-hydroxypropyl)-3-methoxybenzenesulfonamide
CID 102867487
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
4-amino-N-cyclopentyl-N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81440815
N-benzyl-3-bromo-N-cyclopropyl-4-methoxybenzenesulfonamide
CID 24663505
3-bromo-N-butyl-N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 61217996
4-bromo-N-cyclobutyl-3-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 102675801
3-bromo-N-(cyclopentylmethyl)-4-methoxy-N-methylbenzenesulfonamide
CID 47480383
2-bromo-4-cyclobutylsulfonyl-1-methoxybenzene
CID 170744029
2-[cyclohexyl-(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 7414153
2-bromo-4-(cyclobutylmethylsulfonyl)-1-methoxybenzene
CID 170744006
3-amino-N-cyclopentyl-N-ethyl-4-methoxybenzenesulfonamide
CID 43540778

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
The IUPAC name of 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide (CID 102847558) is 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N(CCCO)C2CCC2)cc1Br.
What is the InChIKey of 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
The InChIKey is QREHOCIBIFPBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4S/c1-20-14-7-6-12(10-13(14)15)21(18,19)16(8-3-9-17)11-4-2-5-11/h6-7,10-11,17H,2-5,8-9H2,1H3.
What are the key properties of 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide?
3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide has a molecular weight of 378.29 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclobutyl-N-(3-hydroxypropyl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 102847558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).