3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide

C16H18ClNO4S — CID 97241463

IUPAC3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO4S/c17-13-7-4-8-15(9-13)23(21,22)18-14(11-19)10-16(20)12-5-2-1-3-6-12/h1-9,14,16,18-20H,10-11H2/t14-,16+/m1/s1
InChIKeyTTWDJMSNJAYDIS-ZBFHGGJFSA-N
MW355.84 g/mol
LogP2.10
Rot. Bonds7

About 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide

3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide (PubChem CID 97241463) has the molecular formula C16H18ClNO4S and a molecular weight of 355.84 g/mol. Its IUPAC name is 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide
PubChem CID97241463
Molecular FormulaC16H18ClNO4S
Molecular Weight355.84 g/mol
Exact Mass355.06
IUPAC Name3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClNO4S/c17-13-7-4-8-15(9-13)23(21,22)18-14(11-19)10-16(20)12-5-2-1-3-6-12/h1-9,14,16,18-20H,10-11H2/t14-,16+/m1/s1
InChIKeyTTWDJMSNJAYDIS-ZBFHGGJFSA-N
XLogP2.10
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide 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

(2R)-2-[(3-chlorophenyl)sulfonylamino]-2-phenylacetamide
CID 51472168
1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
3-chloro-N-[(S)-cyclopropyl(phenyl)methyl]benzenesulfonamide
CID 30037407
5-[(3-chlorophenyl)sulfonylamino]hexanoic acid
CID 82854503
(2S)-2-[(3-chlorophenyl)sulfonylamino]-N-[(1R)-2-methyl-1-phenylpropyl]propanamide
CID 51886343
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
N-[1-(3-aminophenyl)ethyl]-3-chlorobenzenesulfonamide
CID 43297970
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)benzenesulfonamide
CID 61242032
4-[(3-chlorophenyl)sulfonylamino]butanoic acid
CID 28829036
2-[(3-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 43084241
4-amino-2-[(3-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084159
2-[(3-chlorophenyl)sulfonylamino]pentanoic acid
CID 43631155

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide (CID 97241463) is 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide is O=S(=O)(N[C@@H](CO)C[C@H](O)c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide?
The InChIKey is TTWDJMSNJAYDIS-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H18ClNO4S/c17-13-7-4-8-15(9-13)23(21,22)18-14(11-19)10-16(20)12-5-2-1-3-6-12/h1-9,14,16,18-20H,10-11H2/t14-,16+/m1/s1.
What are the key properties of 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide?
3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide has a molecular weight of 355.84 g/mol, XLogP of 2.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2R,4S)-1,4-dihydroxy-4-phenylbutan-2-yl]benzenesulfonamide is sourced from PubChem (CID 97241463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).