2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid

C17H19ClN2O4S — CID 14880086

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid
SMILESCC(Cc1ccc(NCC(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12(20-25(23,24)16-8-4-14(18)5-9-16)10-13-2-6-15(7-3-13)19-11-17(21)22/h2-9,12,19-20H,10-11H2,1H3,(H,21,22)
InChIKeyKYHXLULDYFBEMP-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.75
Rot. Bonds8

About 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid

2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid (PubChem CID 14880086) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid
PubChem CID14880086
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid
SMILESCC(Cc1ccc(NCC(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O4S/c1-12(20-25(23,24)16-8-4-14(18)5-9-16)10-13-2-6-15(7-3-13)19-11-17(21)22/h2-9,12,19-20H,10-11H2,1H3,(H,21,22)
InChIKeyKYHXLULDYFBEMP-UHFFFAOYSA-N
XLogP2.75
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 1112091
2-anilino-N-[1-(4-chlorophenyl)propan-2-yl]acetamide
CID 60860440
1-[4-(butan-2-ylsulfamoyl)phenyl]-3-(4-chlorophenyl)urea
CID 17160150
N-[(2S)-butan-2-yl]-4-chlorobenzenesulfonamide
CID 965240
4-fluoro-N-[1-(4-fluorophenyl)propan-2-yl]benzenesulfonamide
CID 61060131
(2R)-3-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 7082008
N-(4-chlorophenyl)-4-(2-methylpropyl)benzenesulfonamide
CID 22773341
3-[3-[2-[(4-chlorophenyl)sulfonylamino]propyl]-5-(pyridin-3-ylmethyl)phenyl]propanoic acid
CID 19711395
4-(butan-2-ylsulfamoyl)-N-(4-chlorophenyl)benzamide
CID 46529057
2-[4-[[2-[(4-chlorophenyl)sulfonylamino]-4-methylpentanoyl]amino]phenyl]acetic acid
CID 54410070
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
4-chloro-N-[(2R)-1-(4-nitroanilino)propan-2-yl]benzenesulfonamide
CID 7312884

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid (CID 14880086) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid is CC(Cc1ccc(NCC(=O)O)cc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid?
The InChIKey is KYHXLULDYFBEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-12(20-25(23,24)16-8-4-14(18)5-9-16)10-13-2-6-15(7-3-13)19-11-17(21)22/h2-9,12,19-20H,10-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid has a molecular weight of 382.87 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]propyl]anilino]acetic acid is sourced from PubChem (CID 14880086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).