3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

C10H16N2O3S — CID 104868507

IUPAC3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O3S/c1-2-9(7-13)12-16(14,15)10-5-3-4-8(11)6-10/h3-6,9,12-13H,2,7,11H2,1H3/t9-/m1/s1
InChIKeyAQHQJUMTRMBGFX-SECBINFHSA-N
MW244.32 g/mol
LogP0.32
Rot. Bonds5

About 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide

3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (PubChem CID 104868507) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
PubChem CID104868507
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
SMILESCC[C@H](CO)NS(=O)(=O)c1cccc(N)c1
InChIInChI=1S/C10H16N2O3S/c1-2-9(7-13)12-16(14,15)10-5-3-4-8(11)6-10/h3-6,9,12-13H,2,7,11H2,1H3/t9-/m1/s1
InChIKeyAQHQJUMTRMBGFX-SECBINFHSA-N
XLogP0.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032
3-amino-N-(1-cyclopropylbutan-2-yl)benzenesulfonamide
CID 63995414
3-acetyl-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501743
3-amino-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 54950145
2-N,6-N-bis(1-hydroxybutan-2-yl)-9,10-dioxoanthracene-2,6-disulfonamide
CID 4568672
5-amino-2-fluoro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081189
5-amino-2-ethyl-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081188
4-amino-N-[(2R)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081166
4-amino-N-[(2S)-1-hydroxybutan-2-yl]-2-methoxybenzenesulfonamide
CID 93081165
2-amino-N-(1-hydroxybutan-2-yl)-4-methylbenzenesulfonamide
CID 43498596
5-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]-2-methylbenzoic acid
CID 107216134
N-[(2R)-1-hydroxybutan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 51697625

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide (CID 104868507) is 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is CC[C@H](CO)NS(=O)(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
The InChIKey is AQHQJUMTRMBGFX-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-9(7-13)12-16(14,15)10-5-3-4-8(11)6-10/h3-6,9,12-13H,2,7,11H2,1H3/t9-/m1/s1.
What are the key properties of 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide?
3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2R)-1-hydroxybutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 104868507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).