(2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

C15H16N4O4S — CID 146121586

IUPAC(2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H16N4O4S/c1-19-14(6-7-17-19)24(22,23)18-13(15(20)21)8-10-9-16-12-5-3-2-4-11(10)12/h2-7,9,13,16,18H,8H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDYRZFZRBVPOOQY-ZDUSSCGKSA-N
MW348.38 g/mol
LogP0.88
Rot. Bonds6

About (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid

(2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (PubChem CID 146121586) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
PubChem CID146121586
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name(2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid
SMILESCn1nccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H16N4O4S/c1-19-14(6-7-17-19)24(22,23)18-13(15(20)21)8-10-9-16-12-5-3-2-4-11(10)12/h2-7,9,13,16,18H,8H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyDYRZFZRBVPOOQY-ZDUSSCGKSA-N
XLogP0.88
TPSA117.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-(1H-indol-3-yl)-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
CID 2211096
(2S)-3-(1H-indol-3-yl)-2-[(4-methylnaphthalen-1-yl)sulfonylamino]propanoic acid
CID 42080951
3-(1H-indol-3-yl)-2-[(4-methoxyphenyl)sulfonylamino]propanoic acid
CID 5144045
(2R)-2-[(4-acetamidophenyl)sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 983564
2-(ethylsulfamoylamino)-3-(1H-indol-3-yl)propanoic acid
CID 114805226
(2R)-2-(difluoromethylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 29276544
(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid
CID 159251038
2-[[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]sulfonylamino]-3-(1H-indol-3-yl)propanoic acid
CID 14048720
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-(1H-indol-3-yl)propanoic acid
CID 2109238
2-(benzenesulfonamido)-N-hydroxy-3-(1H-indol-3-yl)propanamide
CID 18979112
(2S)-3-(1H-indol-3-yl)-2-(2-oxopropylamino)propanoic acid
CID 175532866
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid (CID 146121586) is (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is Cn1nccc1S(=O)(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
The InChIKey is DYRZFZRBVPOOQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-19-14(6-7-17-19)24(22,23)18-13(15(20)21)8-10-9-16-12-5-3-2-4-11(10)12/h2-7,9,13,16,18H,8H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid?
(2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid has a molecular weight of 348.38 g/mol, XLogP of 0.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(1H-indol-3-yl)-2-[(2-methylpyrazol-3-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 146121586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).