2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid

C22H18N2O4S — CID 159273501

IUPAC2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
SMILESCn1ccc2cc(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)ccc21
InChIInChI=1S/C22H18N2O4S/c1-24-12-11-17-13-18(8-10-21(17)24)29(27,28)23-20-14-16(7-9-19(20)22(25)26)15-5-3-2-4-6-15/h2-14,23H,1H3,(H,25,26)
InChIKeyWVZJACHMXDKUDB-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.34
Rot. Bonds5

About 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid

2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid (PubChem CID 159273501) has the molecular formula C22H18N2O4S and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid.

Molecular Properties

Compound Name2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
PubChem CID159273501
Molecular FormulaC22H18N2O4S
Molecular Weight406.46 g/mol
Exact Mass406.10
IUPAC Name2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid
SMILESCn1ccc2cc(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)ccc21
InChIInChI=1S/C22H18N2O4S/c1-24-12-11-17-13-18(8-10-21(17)24)29(27,28)23-20-14-16(7-9-19(20)22(25)26)15-5-3-2-4-6-15/h2-14,23H,1H3,(H,25,26)
InChIKeyWVZJACHMXDKUDB-UHFFFAOYSA-N
XLogP4.34
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-fluorophenyl)phenyl]sulfonylamino]benzoic acid
CID 123387963
2-(benzenesulfonamido)-4-phenylbenzamide
CID 70022066
4-phenyl-2-(2,3,4,5-tetrahydro-1-benzoxepin-7-ylsulfonylamino)benzoic acid
CID 158681936
4-phenyl-2-[[3-(tetrazol-1-yl)phenyl]sulfonylamino]benzoic acid
CID 146601229
2-(naphthalen-2-ylsulfonylamino)-5-(4-propylphenyl)benzoic acid
CID 122622825
2-[[3-(2-hydroxyphenyl)phenyl]sulfonylamino]benzoic acid
CID 162219143
3-[(1-methylindol-5-yl)sulfonylamino]oxane-3-carboxylic acid
CID 166289255
2-[(4-chloro-3-methylphenyl)sulfonylamino]benzoic acid
CID 962498
5-fluoro-2-[[4-(3-methylphenyl)phenyl]sulfonylamino]benzoic acid
CID 171346728
2-(1-methylindol-5-yl)-3-(2-phenylethynyl)benzoic acid
CID 118078380
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[1-[2-(diethylamino)ethyl]indol-5-yl]-4-phenylbenzenesulfonamide
CID 11201712

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid?
The IUPAC name of 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid (CID 159273501) is 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid.
What is the SMILES notation for 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid?
The canonical SMILES for 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid is Cn1ccc2cc(S(=O)(=O)Nc3cc(-c4ccccc4)ccc3C(=O)O)ccc21.
What is the InChIKey of 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid?
The InChIKey is WVZJACHMXDKUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4S/c1-24-12-11-17-13-18(8-10-21(17)24)29(27,28)23-20-14-16(7-9-19(20)22(25)26)15-5-3-2-4-6-15/h2-14,23H,1H3,(H,25,26).
What are the key properties of 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid?
2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid has a molecular weight of 406.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylindol-5-yl)sulfonylamino]-4-phenylbenzoic acid is sourced from PubChem (CID 159273501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).