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

C10H13ClFNO5S — CID 107847991

IUPAC3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO5S/c11-8-3-7(1-2-9(8)12)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2
InChIKeyCPHOGJGPPQFJBY-UHFFFAOYSA-N
MW313.73 g/mol
LogP-0.53
Rot. Bonds6

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

3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 107847991) has the molecular formula C10H13ClFNO5S and a molecular weight of 313.73 g/mol. Its IUPAC name is 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
PubChem CID107847991
Molecular FormulaC10H13ClFNO5S
Molecular Weight313.73 g/mol
Exact Mass313.02
IUPAC Name3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC(CO)(CO)CO)c1ccc(F)c(Cl)c1
InChIInChI=1S/C10H13ClFNO5S/c11-8-3-7(1-2-9(8)12)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2
InChIKeyCPHOGJGPPQFJBY-UHFFFAOYSA-N
XLogP-0.53
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 5-0.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide 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-chloro-4-fluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzenesulfonamide
CID 106169609
2,5-dichloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzenesulfonamide
CID 107848386
3-[(3-chloro-4-fluorophenyl)sulfonylamino]-2,2,3-trimethylbutanoic acid
CID 65266269
3-chloro-N-(3,5-dichlorophenyl)-4-fluorobenzenesulfonamide
CID 3742158
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-nitrobenzenesulfonamide
CID 107866688
3-cyano-4-fluoro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]benzenesulfonamide
CID 107865863
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-3-hydroxypropanoic acid
CID 43091688
3-chloro-N-[(4-chlorophenyl)methyl]-4-fluorobenzenesulfonamide
CID 26945724
6-[(3-chloro-4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 61317579
2-[(3-chloro-4-fluorophenyl)sulfonylamino]-2-cyclopropylpropanoic acid
CID 43172952
3-chloro-4-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 103836042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide (CID 107847991) is 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide is O=S(=O)(NC(CO)(CO)CO)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is CPHOGJGPPQFJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFNO5S/c11-8-3-7(1-2-9(8)12)19(17,18)13-10(4-14,5-15)6-16/h1-3,13-16H,4-6H2.
What are the key properties of 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide?
3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 313.73 g/mol, XLogP of -0.53, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 107847991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).