1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

C18H18Cl2N2O4S — CID 86958748

IUPAC1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESCOc1c(Cl)cc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-21(2)27(24,25)13-5-4-11-6-7-22(16(11)10-13)18(23)12-8-14(19)17(26-3)15(20)9-12/h4-5,8-10H,6-7H2,1-3H3
InChIKeyBTGKSPYADQKFPM-UHFFFAOYSA-N
MW429.33 g/mol
LogP3.46
Rot. Bonds4

About 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide

1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 86958748) has the molecular formula C18H18Cl2N2O4S and a molecular weight of 429.33 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
PubChem CID86958748
Molecular FormulaC18H18Cl2N2O4S
Molecular Weight429.33 g/mol
Exact Mass428.04
IUPAC Name1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
SMILESCOc1c(Cl)cc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1Cl
InChIInChI=1S/C18H18Cl2N2O4S/c1-21(2)27(24,25)13-5-4-11-6-7-22(16(11)10-13)18(23)12-8-14(19)17(26-3)15(20)9-12/h4-5,8-10H,6-7H2,1-3H3
InChIKeyBTGKSPYADQKFPM-UHFFFAOYSA-N
XLogP3.46
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide with MolForge

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Related Compounds

1-(6-chloropyridine-3-carbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 154797051
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
4-(3,5-dichloro-4-hydroxybenzoyl)-N,N-dimethyl-2,3-dihydro-1,4-benzoxazine-6-sulfonamide
CID 11575601
N,N-diethyl-1-(3,4,5-trimethoxybenzoyl)-2,3-dihydroindole-5-sulfonamide
CID 4045730
N-[2-[6-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]benzamide
CID 167970462
2-[2-chloro-6-methoxy-4-(6-methyl-2,3-dihydroindole-1-carbonyl)phenoxy]acetamide
CID 86873010
N-methoxy-N-methyl-3-(6-nitro-2,3-dihydroindole-1-carbonyl)benzenesulfonamide
CID 37161571
1-(1-aminocyclopentanecarbonyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119324921
1-[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 86956982
1-(3,4-dichlorobenzoyl)-N,N-diethyl-2,3-dihydroindole-5-sulfonamide
CID 26765696
[4-[4-[5-(dimethylsulfamoyl)-2,3-dihydroindole-1-carbonyl]phenyl]phenyl] acetate
CID 52527565
N,N-dimethyl-1-[2-(oxolan-2-yl)acetyl]-2,3-dihydroindole-6-sulfonamide
CID 56805828

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide (CID 86958748) is 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is COc1c(Cl)cc(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is BTGKSPYADQKFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O4S/c1-21(2)27(24,25)13-5-4-11-6-7-22(16(11)10-13)18(23)12-8-14(19)17(26-3)15(20)9-12/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide?
1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 429.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-methoxybenzoyl)-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 86958748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).