N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide

C21H22FN3O4S — CID 17447457

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2c1C
InChIInChI=1S/C21H22FN3O4S/c1-13-14(2)23-19-6-3-15(11-17(13)19)21(26)24-16-4-5-18(22)20(12-16)30(27,28)25-7-9-29-10-8-25/h3-6,11-12,23H,7-10H2,1-2H3,(H,24,26)
InChIKeyIQQFCIAWFISQHB-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.20
Rot. Bonds4

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 17447457) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID17447457
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCc1[nH]c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2c1C
InChIInChI=1S/C21H22FN3O4S/c1-13-14(2)23-19-6-3-15(11-17(13)19)21(26)24-16-4-5-18(22)20(12-16)30(27,28)25-7-9-29-10-8-25/h3-6,11-12,23H,7-10H2,1-2H3,(H,24,26)
InChIKeyIQQFCIAWFISQHB-UHFFFAOYSA-N
XLogP3.20
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-propylbenzamide
CID 47718513
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 24503051
4-fluoro-3-morpholin-4-ylsulfonyl-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2684216
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide
CID 55684611
3-fluoro-4-methoxy-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 25438460
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide
CID 60575876
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 24673153
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,4,5-trimethoxybenzamide
CID 55341413

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 17447457) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide is Cc1[nH]c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2c1C.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is IQQFCIAWFISQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c1-13-14(2)23-19-6-3-15(11-17(13)19)21(26)24-16-4-5-18(22)20(12-16)30(27,28)25-7-9-29-10-8-25/h3-6,11-12,23H,7-10H2,1-2H3,(H,24,26).
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 17447457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).