2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide

C15H18Cl2N2O4S — CID 43035130

IUPAC2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1(Cl)Cl
InChIInChI=1S/C15H18Cl2N2O4S/c1-14(9-15(14,16)17)13(21)18-11-8-10(4-5-12(11)20)24(22,23)19-6-2-3-7-19/h4-5,8,20H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyFQEQISIZXAGPIU-UHFFFAOYSA-N
MW393.29 g/mol
LogP2.70
Rot. Bonds4

About 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide

2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide (PubChem CID 43035130) has the molecular formula C15H18Cl2N2O4S and a molecular weight of 393.29 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
PubChem CID43035130
Molecular FormulaC15H18Cl2N2O4S
Molecular Weight393.29 g/mol
Exact Mass392.04
IUPAC Name2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1(Cl)Cl
InChIInChI=1S/C15H18Cl2N2O4S/c1-14(9-15(14,16)17)13(21)18-11-8-10(4-5-12(11)20)24(22,23)19-6-2-3-7-19/h4-5,8,20H,2-3,6-7,9H2,1H3,(H,18,21)
InChIKeyFQEQISIZXAGPIU-UHFFFAOYSA-N
XLogP2.70
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 51186069
2,2-dichloro-N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]-1-methylcyclopropane-1-carboxamide
CID 43004744
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-2-propylsulfanylacetamide
CID 55823578
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3,5-dimethoxybenzamide
CID 27672633
3-amino-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)butanamide;hydrochloride
CID 120872676
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 27672653
1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(2-methylphenyl)thiourea
CID 42993074
4-(4-ethylphenyl)-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxobutanamide
CID 29264882
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
2-chloro-N-[(2S)-1-(2-hydroxy-5-pyrrolidin-1-ylsulfonylanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 29265019
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide (CID 43035130) is 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is FQEQISIZXAGPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4S/c1-14(9-15(14,16)17)13(21)18-11-8-10(4-5-12(11)20)24(22,23)19-6-2-3-7-19/h4-5,8,20H,2-3,6-7,9H2,1H3,(H,18,21).
What are the key properties of 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 393.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43035130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).