N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

C25H21FN4O6S — CID 25226549

IUPACN-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C25H21FN4O6S/c1-14-4-9-21-19(11-14)22(18-3-2-10-27-24(18)31)23(25(32)28-37(35,36)17-6-7-17)29(21)13-15-12-16(30(33)34)5-8-20(15)26/h2-5,8-12,17H,6-7,13H2,1H3,(H,27,31)(H,28,32)
InChIKeyMGFUXFKWOHITDS-UHFFFAOYSA-N
MW524.53 g/mol
LogP3.62
Rot. Bonds7

About N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide

N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (PubChem CID 25226549) has the molecular formula C25H21FN4O6S and a molecular weight of 524.53 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
PubChem CID25226549
Molecular FormulaC25H21FN4O6S
Molecular Weight524.53 g/mol
Exact Mass524.12
IUPAC NameN-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
SMILESCc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C25H21FN4O6S/c1-14-4-9-21-19(11-14)22(18-3-2-10-27-24(18)31)23(25(32)28-37(35,36)17-6-7-17)29(21)13-15-12-16(30(33)34)5-8-20(15)26/h2-5,8-12,17H,6-7,13H2,1H3,(H,27,31)(H,28,32)
InChIKeyMGFUXFKWOHITDS-UHFFFAOYSA-N
XLogP3.62
TPSA144.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.53
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroacetate; 4-[({1-[(3-carbamimidoylphenyl)methyl]-5-nitro-1H-indol-2-yl}formamido)methyl]-N,N,N-trimethylanilinium
CID 11814015
N-(Cyclopropylsulfonyl)-1-(2,5-Difluorobenzyl)-6-Fluoro-5-Methyl-3-(2-Oxo-1,2-Dihydropyridin-3-Yl)-1h-Indole-2-Carboxamide
CID 56593147
1-[(2-fluoro-5-nitro-phenyl)methyl]-5-methyl-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25226009
N-cyclopropylsulfonyl-5-ethyl-1-[(2-fluoro-5-nitro-phenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25227113
N-(dimethylsulfamoyl)-1-[(2-fluoro-5-nitro-phenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 58132616
N-[[4-(cyclopropylsulfonylamino)-2-(trifluoromethyl)phenyl]methyl]-1-[(3-fluorophenyl)methyl]indole-5-carboxamide
CID 164513400
N-cyclopropylsulfonyl-6-ethyl-1-[(2-fluoro-5-nitrophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 156016547
[4-[[[1-[(3-Carbamimidoylphenyl)methyl]-5-nitroindole-2-carbonyl]amino]methyl]phenyl]-trimethylazanium;2,2,2-trifluoroacetate
CID 11814014
N-[4-(butylsulfonylamino)phenyl]-5-(3,3-dimethylbutanoylamino)-1-[(2-fluorophenyl)methyl]indole-2-carboxamide
CID 23573445
5-tert-butyl-N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitro-phenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25224500
N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitro-phenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 25224682
N-cyclopropylsulfonyl-1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225632

Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide (CID 25226549) is N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is Cc1ccc2c(c1)c(-c1ccc[nH]c1=O)c(C(=O)NS(=O)(=O)C1CC1)n2Cc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
The InChIKey is MGFUXFKWOHITDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O6S/c1-14-4-9-21-19(11-14)22(18-3-2-10-27-24(18)31)23(25(32)28-37(35,36)17-6-7-17)29(21)13-15-12-16(30(33)34)5-8-20(15)26/h2-5,8-12,17H,6-7,13H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide?
N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide has a molecular weight of 524.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-1-[(2-fluoro-5-nitrophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide is sourced from PubChem (CID 25226549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).