2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid

C19H18FN3O4S — CID 67997623

IUPAC2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid
SMILESO=C(O)Cn1c2c(c3cccnc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H18FN3O4S/c20-12-3-6-14(7-4-12)28(26,27)22-13-5-8-17-16(10-13)15-2-1-9-21-19(15)23(17)11-18(24)25/h1-4,6-7,9,13,22H,5,8,10-11H2,(H,24,25)
InChIKeyQRFPPLNLTHLWOD-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.10
Rot. Bonds5

About 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid

2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid (PubChem CID 67997623) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid
PubChem CID67997623
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid
SMILESO=C(O)Cn1c2c(c3cccnc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2
InChIInChI=1S/C19H18FN3O4S/c20-12-3-6-14(7-4-12)28(26,27)22-13-5-8-17-16(10-13)15-2-1-9-21-19(15)23(17)11-18(24)25/h1-4,6-7,9,13,22H,5,8,10-11H2,(H,24,25)
InChIKeyQRFPPLNLTHLWOD-UHFFFAOYSA-N
XLogP2.10
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]propanoic acid
CID 67529953
3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 5036
3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid;hydrochloride
CID 53250537
benzoic acid;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 53250390
3-cyclopentylpropanoic acid;3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 53250235
3-[3-[(4-fluorophenyl)sulfonylamino]-6-hydroxy-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 14987078
methyl 3-[3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 14687304
3-[3-[(4-fluorophenyl)sulfonylamino]-6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid;hydrochloride
CID 19754509
ethyl 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoate
CID 141187924
3-[3-[(4-fluorophenyl)sulfonylamino]-5-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 14987112
sodium;hydride;3-[3-[(4-methylphenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 173377940
3-[3-[[4-(dimethylamino)phenyl]sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid
CID 170652548

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid?
The IUPAC name of 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid (CID 67997623) is 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid.
What is the SMILES notation for 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid?
The canonical SMILES for 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid is O=C(O)Cn1c2c(c3cccnc31)CC(NS(=O)(=O)c1ccc(F)cc1)CC2.
What is the InChIKey of 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid?
The InChIKey is QRFPPLNLTHLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c20-12-3-6-14(7-4-12)28(26,27)22-13-5-8-17-16(10-13)15-2-1-9-21-19(15)23(17)11-18(24)25/h1-4,6-7,9,13,22H,5,8,10-11H2,(H,24,25).
What are the key properties of 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid?
2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid has a molecular weight of 403.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4-fluorophenyl)sulfonylamino]-5,6,7,8-tetrahydropyrido[2,3-b]indol-9-yl]acetic acid is sourced from PubChem (CID 67997623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).