(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid

C10H10ClF2NO6S — CID 104936024

IUPAC(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO6S/c11-6-3-5(1-2-8(6)20-10(12)13)21(18,19)14-4-7(15)9(16)17/h1-3,7,10,14-15H,4H2,(H,16,17)/t7-/m0/s1
InChIKeyCJOSWEMLJQWZRY-ZETCQYMHSA-N
MW345.71 g/mol
LogP0.67
Rot. Bonds7

About (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid

(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid (PubChem CID 104936024) has the molecular formula C10H10ClF2NO6S and a molecular weight of 345.71 g/mol. Its IUPAC name is (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
PubChem CID104936024
Molecular FormulaC10H10ClF2NO6S
Molecular Weight345.71 g/mol
Exact Mass344.99
IUPAC Name(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid
SMILESO=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H10ClF2NO6S/c11-6-3-5(1-2-8(6)20-10(12)13)21(18,19)14-4-7(15)9(16)17/h1-3,7,10,14-15H,4H2,(H,16,17)/t7-/m0/s1
InChIKeyCJOSWEMLJQWZRY-ZETCQYMHSA-N
XLogP0.67
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-(difluoromethoxy)-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034786
3-chloro-4-(difluoromethoxy)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113256
3-chloro-4-(difluoromethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62662823
3-chloro-4-(difluoromethoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62662809
3-chloro-4-(difluoromethoxy)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzenesulfonamide
CID 55904028
2-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonyl-methylamino]acetic acid
CID 43351470
3-chloro-4-(difluoromethoxy)-N-[(4-methylpiperidin-4-yl)methyl]benzenesulfonamide;hydrochloride
CID 120720121
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
N-[3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]phenyl]-2-methoxyacetamide
CID 39831666
methyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]thiophene-2-carboxylate
CID 39828527
3-chloro-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 37477959
4-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-N-cyclopropylbenzamide
CID 39829528

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid (CID 104936024) is (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid is O=C(O)[C@@H](O)CNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
The InChIKey is CJOSWEMLJQWZRY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10ClF2NO6S/c11-6-3-5(1-2-8(6)20-10(12)13)21(18,19)14-4-7(15)9(16)17/h1-3,7,10,14-15H,4H2,(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid?
(2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid has a molecular weight of 345.71 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[[3-chloro-4-(difluoromethoxy)phenyl]sulfonylamino]-2-hydroxypropanoic acid is sourced from PubChem (CID 104936024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).