2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide

C14H22BrNO3S — CID 44602066

IUPAC2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide
SMILESCCCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H22BrNO3S/c1-4-9-16(13(10-17)11(2)3)20(18,19)14-8-6-5-7-12(14)15/h5-8,11,13,17H,4,9-10H2,1-3H3/t13-/m1/s1
InChIKeyMEMOCDMVYWZIJT-CYBMUJFWSA-N
MW364.31 g/mol
LogP2.87
Rot. Bonds7

About 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide

2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide (PubChem CID 44602066) has the molecular formula C14H22BrNO3S and a molecular weight of 364.31 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide
PubChem CID44602066
Molecular FormulaC14H22BrNO3S
Molecular Weight364.31 g/mol
Exact Mass363.05
IUPAC Name2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide
SMILESCCCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br
InChIInChI=1S/C14H22BrNO3S/c1-4-9-16(13(10-17)11(2)3)20(18,19)14-8-6-5-7-12(14)15/h5-8,11,13,17H,4,9-10H2,1-3H3/t13-/m1/s1
InChIKeyMEMOCDMVYWZIJT-CYBMUJFWSA-N
XLogP2.87
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755429
2-bromo-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 60957937
2-N-propan-2-yl-2-N-propylbenzene-1,2-disulfonamide
CID 43269908
2-bromo-N-(cyclopropylmethyl)-N-propylbenzenesulfonamide
CID 6734789
2-bromo-N-(2-bromoethyl)-N-(2-methoxyethyl)benzenesulfonamide
CID 113468348
N-(2-aminophenyl)-2-bromo-N-propylbenzenesulfonamide
CID 63230710
3-[(2-bromophenyl)sulfonyl-methylamino]butanethioamide
CID 63223551
2-bromo-N-butyl-N-cyclopropylbenzenesulfonamide
CID 60751139
3-[(2-bromophenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 54992954
N-(4-aminocyclohexyl)-2-bromo-N-propylbenzenesulfonamide
CID 79117102
2-bromo-N-[1-(2-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 138999711
N-(2-aminoethyl)-2-bromo-N-methylbenzenesulfonamide
CID 62688610

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide (CID 44602066) is 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide is CCCN([C@H](CO)C(C)C)S(=O)(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide?
The InChIKey is MEMOCDMVYWZIJT-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22BrNO3S/c1-4-9-16(13(10-17)11(2)3)20(18,19)14-8-6-5-7-12(14)15/h5-8,11,13,17H,4,9-10H2,1-3H3/t13-/m1/s1.
What are the key properties of 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide?
2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide has a molecular weight of 364.31 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 44602066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).