2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide

C14H17ClFNO3S — CID 99858938

IUPAC2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide
SMILESC=C(Cl)CS(=O)(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17ClFNO3S/c1-10(15)9-21(19,20)17(13-6-7-13)8-14(18)11-2-4-12(16)5-3-11/h2-5,13-14,18H,1,6-9H2/t14-/m0/s1
InChIKeyQWENNEMAYZSISZ-AWEZNQCLSA-N
MW333.81 g/mol
LogP2.41
Rot. Bonds7

About 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide

2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide (PubChem CID 99858938) has the molecular formula C14H17ClFNO3S and a molecular weight of 333.81 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide
PubChem CID99858938
Molecular FormulaC14H17ClFNO3S
Molecular Weight333.81 g/mol
Exact Mass333.06
IUPAC Name2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide
SMILESC=C(Cl)CS(=O)(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1
InChIInChI=1S/C14H17ClFNO3S/c1-10(15)9-21(19,20)17(13-6-7-13)8-14(18)11-2-4-12(16)5-3-11/h2-5,13-14,18H,1,6-9H2/t14-/m0/s1
InChIKeyQWENNEMAYZSISZ-AWEZNQCLSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.81
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]propane-1-sulfonamide
CID 75399763
2-[cyclopropyl(prop-2-enyl)amino]-1-(4-fluorophenyl)ethanol
CID 71999867
N-cyclopentyl-2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]acetamide
CID 111432084
N-cyclopropyl-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1,2-thiazole-5-carboxamide
CID 138016901
2-chloro-N-cyclopropyl-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 107651000
1-cyclopropyl-3-(2-cyclopropylethyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]urea
CID 111795159
1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
1-[2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]pyrrolidin-2-one
CID 71999862
2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 111462226
2-chloro-1-(4-fluorophenyl)prop-2-ene-1-sulfonyl chloride
CID 174639267
N-cyclopropyl-2-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]ethanesulfonamide
CID 166242216
2-[(1,1-dioxothiolan-3-yl)-prop-2-ynylamino]-1-(4-fluorophenyl)ethanol
CID 111110017

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide (CID 99858938) is 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide is C=C(Cl)CS(=O)(=O)N(C[C@H](O)c1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide?
The InChIKey is QWENNEMAYZSISZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H17ClFNO3S/c1-10(15)9-21(19,20)17(13-6-7-13)8-14(18)11-2-4-12(16)5-3-11/h2-5,13-14,18H,1,6-9H2/t14-/m0/s1.
What are the key properties of 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide?
2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide has a molecular weight of 333.81 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]prop-2-ene-1-sulfonamide is sourced from PubChem (CID 99858938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).