N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide

C18H13Cl2FN2O3S — CID 66917923

IUPACN-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide
SMILESCc1c[nH]c2c(C=CC(=O)NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc(F)cc12
InChIInChI=1S/C18H13Cl2FN2O3S/c1-10-9-22-18-11(4-14(21)8-16(10)18)2-3-17(24)23-27(25,26)15-6-12(19)5-13(20)7-15/h2-9,22H,1H3,(H,23,24)
InChIKeyCVVJOAWKIRZKDO-UHFFFAOYSA-N
MW427.28 g/mol
LogP4.44
Rot. Bonds4

About N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide

N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide (PubChem CID 66917923) has the molecular formula C18H13Cl2FN2O3S and a molecular weight of 427.28 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide
PubChem CID66917923
Molecular FormulaC18H13Cl2FN2O3S
Molecular Weight427.28 g/mol
Exact Mass426.00
IUPAC NameN-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide
SMILESCc1c[nH]c2c(C=CC(=O)NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc(F)cc12
InChIInChI=1S/C18H13Cl2FN2O3S/c1-10-9-22-18-11(4-14(21)8-16(10)18)2-3-17(24)23-27(25,26)15-6-12(19)5-13(20)7-15/h2-9,22H,1H3,(H,23,24)
InChIKeyCVVJOAWKIRZKDO-UHFFFAOYSA-N
XLogP4.44
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.28
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(2,4-difluorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide
CID 66917858
methyl (E)-4-(5-fluoro-3-methyl-1H-indol-7-yl)but-3-enoate
CID 89320664
(E)-3-[5-[(2,4-dichlorophenyl)methyl]-2-fluoro-6,7,8,9,10,11-hexahydrocycloocta[b]indol-4-yl]-N-(4-fluorophenyl)sulfonylprop-2-enamide
CID 172740852
3,5-dichloro-N-(3-methyl-1H-indol-5-yl)benzenesulfonamide
CID 59276788
(E)-3-[5-[(2,4-dichlorophenyl)methyl]-8-fluoro-3,4-dihydro-1H-pyrano[4,3-b]indol-6-yl]-N-(4-fluorophenyl)sulfonylprop-2-enamide
CID 71488335
(E)-N-(4,5-dichlorothiophen-2-yl)sulfonyl-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-fluoro-3-methylindol-7-yl]prop-2-enamide
CID 44627832
(E)-3-(4-fluorophenyl)-N'-(4-methyl-3-nitrophenyl)sulfonylprop-2-enehydrazide
CID 9164920
(E)-3-(4-chloro-2-methylphenyl)-N-hydroxyprop-2-enamide
CID 24860349
(E)-N-(4-acetylphenyl)sulfonyl-3-(3-chlorophenyl)prop-2-enamide
CID 55362067
(E)-3-[5-chloro-3-(2,2,2-trifluoroacetyl)-1H-indol-7-yl]-1-phenylprop-2-en-1-one
CID 176549898
(E)-3-[4-(3-chloro-4-fluorophenoxy)-1-methylindol-3-yl]-N-(3,4-difluorophenyl)sulfonylprop-2-enamide
CID 44565193
(E)-N-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(4-fluorophenyl)prop-2-enamide
CID 75363379

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide?
The IUPAC name of N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide (CID 66917923) is N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide?
The canonical SMILES for N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide is Cc1c[nH]c2c(C=CC(=O)NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc(F)cc12.
What is the InChIKey of N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide?
The InChIKey is CVVJOAWKIRZKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN2O3S/c1-10-9-22-18-11(4-14(21)8-16(10)18)2-3-17(24)23-27(25,26)15-6-12(19)5-13(20)7-15/h2-9,22H,1H3,(H,23,24).
What are the key properties of N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide?
N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide has a molecular weight of 427.28 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)sulfonyl-3-(5-fluoro-3-methyl-1H-indol-7-yl)prop-2-enamide is sourced from PubChem (CID 66917923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).