N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

C18H19ClN2O5S — CID 28544124

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-25-16-10-14(17(26-2)9-13(16)19)20-18(22)12-4-5-15-11(8-12)6-7-21(15)27(3,23)24/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)
InChIKeyJTNSXTBCODABKL-UHFFFAOYSA-N
MW410.88 g/mol
LogP2.93
Rot. Bonds5

About N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (PubChem CID 28544124) has the molecular formula C18H19ClN2O5S and a molecular weight of 410.88 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
PubChem CID28544124
Molecular FormulaC18H19ClN2O5S
Molecular Weight410.88 g/mol
Exact Mass410.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
SMILESCOc1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(OC)cc1Cl
InChIInChI=1S/C18H19ClN2O5S/c1-25-16-10-14(17(26-2)9-13(16)19)20-18(22)12-4-5-15-11(8-12)6-7-21(15)27(3,23)24/h4-5,8-10H,6-7H2,1-3H3,(H,20,22)
InChIKeyJTNSXTBCODABKL-UHFFFAOYSA-N
XLogP2.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-methoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55905643
N-(3-chloro-2-methylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085733
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate
CID 27564653
1-methylsulfonyl-N-(2-propoxyphenyl)-2,3-dihydroindole-5-carboxamide
CID 30236141
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CID 55727033
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
1-methylsulfonyl-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-carboxamide
CID 24761444
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
3-(azepan-1-ylsulfonyl)-4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)benzamide
CID 26620619
N-(4-fluorophenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 1085722
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 55595616
N-(4-tert-butylphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 18776410

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide (CID 28544124) is N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is COc1cc(NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
The InChIKey is JTNSXTBCODABKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O5S/c1-25-16-10-14(17(26-2)9-13(16)19)20-18(22)12-4-5-15-11(8-12)6-7-21(15)27(3,23)24/h4-5,8-10H,6-7H2,1-3H3,(H,20,22).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 28544124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).