5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide

C13H22ClN3O3S — CID 106140330

IUPAC5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C13H22ClN3O3S/c1-9-5-10(14)11(15)6-12(9)21(19,20)16-7-13(2,18)8-17(3)4/h5-6,16,18H,7-8,15H2,1-4H3
InChIKeyXGFBRCZSAPZTEK-UHFFFAOYSA-N
MW335.86 g/mol
LogP0.82
Rot. Bonds6

About 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide

5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide (PubChem CID 106140330) has the molecular formula C13H22ClN3O3S and a molecular weight of 335.86 g/mol. Its IUPAC name is 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
PubChem CID106140330
Molecular FormulaC13H22ClN3O3S
Molecular Weight335.86 g/mol
Exact Mass335.11
IUPAC Name5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(N)cc1S(=O)(=O)NCC(C)(O)CN(C)C
InChIInChI=1S/C13H22ClN3O3S/c1-9-5-10(14)11(15)6-12(9)21(19,20)16-7-13(2,18)8-17(3)4/h5-6,16,18H,7-8,15H2,1-4H3
InChIKeyXGFBRCZSAPZTEK-UHFFFAOYSA-N
XLogP0.82
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide 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

4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide
CID 106140315
5-amino-4-chloro-N-(2-methoxy-2-methylpropyl)-2-methylbenzenesulfonamide
CID 104758539
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-4-fluorobenzenesulfonamide
CID 103838118
2-amino-5-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140176
3-[2-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]ethyl]-1,1-dimethylurea
CID 83108751
5-amino-2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 106140415
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-difluorobenzenesulfonamide
CID 106140232
5-[(5-amino-4-chloro-2-methylphenyl)sulfonylamino]pentanamide
CID 106233651
5-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 106149451
5-amino-4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbenzenesulfonamide
CID 115454066
5-amino-N-(2,3-dihydroxy-2-methylpropyl)-2-fluoro-4-methylbenzenesulfonamide
CID 66168567

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide (CID 106140330) is 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide is Cc1cc(Cl)c(N)cc1S(=O)(=O)NCC(C)(O)CN(C)C.
What is the InChIKey of 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
The InChIKey is XGFBRCZSAPZTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3S/c1-9-5-10(14)11(15)6-12(9)21(19,20)16-7-13(2,18)8-17(3)4/h5-6,16,18H,7-8,15H2,1-4H3.
What are the key properties of 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide?
5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide has a molecular weight of 335.86 g/mol, XLogP of 0.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 106140330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).