N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

C18H16ClFN2O3S — CID 20853215

IUPACN-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C18H16ClFN2O3S/c19-15-10-13(3-5-16(15)20)21-26(24,25)14-4-6-17-12(9-14)7-8-22(17)18(23)11-1-2-11/h3-6,9-11,21H,1-2,7-8H2
InChIKeyXBQQGJPWDVUNGD-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.58
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide

N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 20853215) has the molecular formula C18H16ClFN2O3S and a molecular weight of 394.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID20853215
Molecular FormulaC18H16ClFN2O3S
Molecular Weight394.86 g/mol
Exact Mass394.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C18H16ClFN2O3S/c19-15-10-13(3-5-16(15)20)21-26(24,25)14-4-6-17-12(9-14)7-8-22(17)18(23)11-1-2-11/h3-6,9-11,21H,1-2,7-8H2
InChIKeyXBQQGJPWDVUNGD-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropanecarbonyl)-N-(3-fluorophenyl)-2,3-dihydroindole-5-sulfonamide
CID 6621715
1-(cyclopropanecarbonyl)-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-5-sulfonamide
CID 15990690
N-(4-bromophenyl)-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853260
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42388536
1-(cyclopropanecarbonyl)-N-dibenzofuran-3-yl-2,3-dihydroindole-5-sulfonamide
CID 100554084
6-chloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-sulfonamide
CID 110303737
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]benzoate
CID 100506055
1-(4-chlorobenzoyl)-N-(3,4-dichlorophenyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17248027
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808
1-acetyl-N-[4-(cyclopropanecarbonyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 110425311
2,5-dichloro-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzenesulfonamide
CID 43990163

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide (CID 20853215) is N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XBQQGJPWDVUNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O3S/c19-15-10-13(3-5-16(15)20)21-26(24,25)14-4-6-17-12(9-14)7-8-22(17)18(23)11-1-2-11/h3-6,9-11,21H,1-2,7-8H2.
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide?
N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 394.86 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 20853215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).