4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide

C10H16N2O3S — CID 138631823

IUPAC4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide
SMILESCCC(C)Nc1ccc(S(=O)(=O)NO)cc1
InChIInChI=1S/C10H16N2O3S/c1-3-8(2)11-9-4-6-10(7-5-9)16(14,15)12-13/h4-8,11-13H,3H2,1-2H3
InChIKeyLJVMKVFWYIIUSV-UHFFFAOYSA-N
MW244.32 g/mol
LogP1.56
Rot. Bonds5

About 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide

4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide (PubChem CID 138631823) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide
PubChem CID138631823
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide
SMILESCCC(C)Nc1ccc(S(=O)(=O)NO)cc1
InChIInChI=1S/C10H16N2O3S/c1-3-8(2)11-9-4-6-10(7-5-9)16(14,15)12-13/h4-8,11-13H,3H2,1-2H3
InChIKeyLJVMKVFWYIIUSV-UHFFFAOYSA-N
XLogP1.56
TPSA78.43 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 ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(butan-2-ylsulfamoyl)phenyl]acetamide
CID 3113473
N-[4-(butan-2-ylamino)phenyl]-3,4-dichlorobenzenesulfonamide
CID 112980530
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
N-ethyl-4-(pentan-2-ylamino)benzenesulfonamide
CID 43383375
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
N-ethyl-4-(1-methylsulfonylpropan-2-ylamino)benzenesulfonamide
CID 64629339
4-(hexan-2-ylamino)-N-methylbenzenesulfonamide
CID 43790312
N-[4-(butan-2-ylamino)phenyl]-2-methylpropanamide
CID 43683753
4-(1-aminopropan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 63732783
propan-2-yl 4-(butan-2-ylamino)benzoate
CID 43684062
1-N,4-N-bis(5-methylhexan-2-yl)benzene-1,4-diamine;1-N,4-N-di(butan-2-yl)benzene-1,4-diamine
CID 19805826

Frequently Asked Questions

What is the IUPAC name of 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide?
The IUPAC name of 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide (CID 138631823) is 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide.
What is the SMILES notation for 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide?
The canonical SMILES for 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide is CCC(C)Nc1ccc(S(=O)(=O)NO)cc1.
What is the InChIKey of 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide?
The InChIKey is LJVMKVFWYIIUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-3-8(2)11-9-4-6-10(7-5-9)16(14,15)12-13/h4-8,11-13H,3H2,1-2H3.
What are the key properties of 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide?
4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butan-2-ylamino)-N-hydroxybenzenesulfonamide is sourced from PubChem (CID 138631823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).