3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide

C11H17ClN2O5S — CID 107843755

IUPAC3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(CO)(CO)CO)cc1Cl
InChIInChI=1S/C11H17ClN2O5S/c1-7-9(12)2-8(3-10(7)13)20(18,19)14-11(4-15,5-16)6-17/h2-3,14-17H,4-6,13H2,1H3
InChIKeyLEAFVTZTVRZXFZ-UHFFFAOYSA-N
MW324.79 g/mol
LogP-0.78
Rot. Bonds6

About 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide

3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide (PubChem CID 107843755) has the molecular formula C11H17ClN2O5S and a molecular weight of 324.79 g/mol. Its IUPAC name is 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
PubChem CID107843755
Molecular FormulaC11H17ClN2O5S
Molecular Weight324.79 g/mol
Exact Mass324.05
IUPAC Name3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide
SMILESCc1c(N)cc(S(=O)(=O)NC(CO)(CO)CO)cc1Cl
InChIInChI=1S/C11H17ClN2O5S/c1-7-9(12)2-8(3-10(7)13)20(18,19)14-11(4-15,5-16)6-17/h2-3,14-17H,4-6,13H2,1H3
InChIKeyLEAFVTZTVRZXFZ-UHFFFAOYSA-N
XLogP-0.78
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 5-0.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-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

3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-4,5-dimethylbenzenesulfonamide
CID 62522555
3-amino-5-chloro-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 43345878
3-amino-5-chloro-N-(1,3-dihydroxypropan-2-yl)-4-methylbenzenesulfonamide
CID 65310566
3-amino-4-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-5-methylbenzenesulfonamide
CID 107864427
2-[(3-amino-5-chloro-4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 43567655
3-amino-5-chloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methylbenzenesulfonamide
CID 106358803
3-amino-5-chloro-N-(3,3-dimethylbutan-2-yl)-4-methylbenzenesulfonamide
CID 104827361
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
CID 107847991
3-amino-5-chloro-N-[3-(methanesulfonamido)propyl]-4-methylbenzenesulfonamide
CID 106333250
3-amino-5-chloro-4-methyl-N-pentylbenzenesulfonamide
CID 29030378
3-amino-5-chloro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-methylbenzenesulfonamide
CID 106153506
1-(3-amino-5-chloro-4-methylphenyl)sulfonyl-3-propylurea
CID 116645883

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide (CID 107843755) is 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide is Cc1c(N)cc(S(=O)(=O)NC(CO)(CO)CO)cc1Cl.
What is the InChIKey of 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is LEAFVTZTVRZXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O5S/c1-7-9(12)2-8(3-10(7)13)20(18,19)14-11(4-15,5-16)6-17/h2-3,14-17H,4-6,13H2,1H3.
What are the key properties of 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide?
3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of -0.78, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 107843755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).