2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide

C11H11ClFN3O3S2 — CID 133430912

IUPAC2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC(O)c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C11H11ClFN3O3S2/c12-7-2-1-6(3-8(7)13)9(17)4-15-11-16-5-10(20-11)21(14,18)19/h1-3,5,9,17H,4H2,(H,15,16)(H2,14,18,19)
InChIKeyMQSAYEYKZWCTNR-UHFFFAOYSA-N
MW351.81 g/mol
LogP1.73
Rot. Bonds5

About 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide

2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide (PubChem CID 133430912) has the molecular formula C11H11ClFN3O3S2 and a molecular weight of 351.81 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide
PubChem CID133430912
Molecular FormulaC11H11ClFN3O3S2
Molecular Weight351.81 g/mol
Exact Mass350.99
IUPAC Name2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide
SMILESNS(=O)(=O)c1cnc(NCC(O)c2ccc(Cl)c(F)c2)s1
InChIInChI=1S/C11H11ClFN3O3S2/c12-7-2-1-6(3-8(7)13)9(17)4-15-11-16-5-10(20-11)21(14,18)19/h1-3,5,9,17H,4H2,(H,15,16)(H2,14,18,19)
InChIKeyMQSAYEYKZWCTNR-UHFFFAOYSA-N
XLogP1.73
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.81
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)amino]ethanol
CID 133430857
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
2-[(2-chlorophenyl)methylamino]-1,3-thiazole-5-sulfonamide
CID 133279971
1-(4-chloro-3-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]ethanol
CID 133411967
1-(4-chloro-3-fluorophenyl)-2-[(6-fluoro-2-pyridinyl)amino]ethanol
CID 133411980
N-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]benzenesulfonamide
CID 97248769
1-(4-chloro-3-fluorophenyl)-2-[[3-(2-methoxyethyl)-1,2,4-thiadiazol-5-yl]amino]ethanol
CID 133430861
1-(4-chloro-3-fluorophenyl)-2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 133430923
(4-chloro-3-fluorophenyl)-hydroxymethanesulfonic acid
CID 103574107
(1S)-1-(4-chloro-3-fluorophenyl)ethane-1,2-diol
CID 97286939
6-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-N-prop-2-ynylpyridine-3-carboxamide
CID 133430962
(1S)-1-(4-chloro-3-fluorophenyl)propane-1,3-diol
CID 86696659

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide (CID 133430912) is 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide is NS(=O)(=O)c1cnc(NCC(O)c2ccc(Cl)c(F)c2)s1.
What is the InChIKey of 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide?
The InChIKey is MQSAYEYKZWCTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3O3S2/c12-7-2-1-6(3-8(7)13)9(17)4-15-11-16-5-10(20-11)21(14,18)19/h1-3,5,9,17H,4H2,(H,15,16)(H2,14,18,19).
What are the key properties of 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide?
2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide has a molecular weight of 351.81 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]amino]-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 133430912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).