2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide

C15H15ClFN3O3S — CID 42912001

IUPAC2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15ClFN3O3S/c1-9(19-11-4-7-14(17)13(16)8-11)15(21)20-10-2-5-12(6-3-10)24(18,22)23/h2-9,19H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyWAUIUGKNAXSTEH-UHFFFAOYSA-N
MW371.82 g/mol
LogP2.57
Rot. Bonds5

About 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide

2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide (PubChem CID 42912001) has the molecular formula C15H15ClFN3O3S and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
PubChem CID42912001
Molecular FormulaC15H15ClFN3O3S
Molecular Weight371.82 g/mol
Exact Mass371.05
IUPAC Name2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide
SMILESCC(Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H15ClFN3O3S/c1-9(19-11-4-7-14(17)13(16)8-11)15(21)20-10-2-5-12(6-3-10)24(18,22)23/h2-9,19H,1H3,(H,20,21)(H2,18,22,23)
InChIKeyWAUIUGKNAXSTEH-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001
2-(3,4-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42911852
2-(3,5-dimethylanilino)-N-(4-sulfamoylphenyl)propanamide
CID 42912015
(2R)-2-(naphthalen-2-ylamino)-N-(4-sulfamoylphenyl)propanamide
CID 7775072
(2S)-2-(3-chloro-4-fluoroanilino)-N-(9,10-dioxoanthracen-2-yl)propanamide
CID 26057005
(2R)-N-(3-chloro-4-fluorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 1263361
N-(3-chloro-4-fluorophenyl)-2-(3-chloro-4-methoxyanilino)propanamide
CID 55430557
(2S)-2-[[(R)-(4-chlorophenyl)-phenylmethyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 41095619
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(3-chloro-4-fluorophenyl)propanamide
CID 41168290
N-(3-chloro-4-fluorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)propanamide
CID 51242256
2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 4787331
(2S)-2-(5-chloro-2,4-dimethoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 8008354

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide (CID 42912001) is 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide is CC(Nc1ccc(F)c(Cl)c1)C(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is WAUIUGKNAXSTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3S/c1-9(19-11-4-7-14(17)13(16)8-11)15(21)20-10-2-5-12(6-3-10)24(18,22)23/h2-9,19H,1H3,(H,20,21)(H2,18,22,23).
What are the key properties of 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide?
2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 371.82 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluoroanilino)-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 42912001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).