methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate

C18H18ClNO5S — CID 68695985

IUPACmethyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CC2
InChIInChI=1S/C18H18ClNO5S/c1-11-8-12(18(21)25-3)9-15-14(11)6-7-20(15)26(22,23)17-10-13(19)4-5-16(17)24-2/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZSQVMRWPNDKJEE-UHFFFAOYSA-N
MW395.86 g/mol
LogP3.20
Rot. Bonds4

About methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate

methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate (PubChem CID 68695985) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate
PubChem CID68695985
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC Namemethyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1cc(C)c2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CC2
InChIInChI=1S/C18H18ClNO5S/c1-11-8-12(18(21)25-3)9-15-14(11)6-7-20(15)26(22,23)17-10-13(19)4-5-16(17)24-2/h4-5,8-10H,6-7H2,1-3H3
InChIKeyZSQVMRWPNDKJEE-UHFFFAOYSA-N
XLogP3.20
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate with MolForge

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Related Compounds

2-[4-[[1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carbonyl]amino]phenyl]acetic acid
CID 24962708
4-methoxy-1-(2-methoxy-5-methylphenyl)sulfonyl-2,3-dihydroindole-6-carboxamide
CID 141166293
(E)-3-[3-[(6-chloro-2,3-dihydroindol-1-yl)sulfonyl]-4-methoxyphenyl]prop-2-enoic acid
CID 167932004
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroquinoxaline
CID 46382919
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1-benzazepine
CID 86621011
1-(5-chloro-2-methoxyphenyl)sulfonyl-6-fluoro-2,3-dihydroquinolin-4-one
CID 110406671
methyl 1-(5-bromo-2-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline-5-carboxylate
CID 31757296
1-(5-chloro-2-methoxyphenyl)sulfonyl-7-methoxy-3,4-dihydro-2H-quinolin-4-ol
CID 110637221
methyl 3-[(6-bromo-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-4-methoxybenzoate
CID 71865336
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
ethyl 4-[[4-(5-chloro-2-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-6-carbonyl]amino]-2-methoxybenzoate
CID 66789368
6-(5-chloro-2-methoxyphenyl)sulfonyl-2,3,4,5-tetrahydro-1,6-benzoxazocine
CID 141181124

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate (CID 68695985) is methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate is COC(=O)c1cc(C)c2c(c1)N(S(=O)(=O)c1cc(Cl)ccc1OC)CC2.
What is the InChIKey of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate?
The InChIKey is ZSQVMRWPNDKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c1-11-8-12(18(21)25-3)9-15-14(11)6-7-20(15)26(22,23)17-10-13(19)4-5-16(17)24-2/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate?
methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate has a molecular weight of 395.86 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-4-methyl-2,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 68695985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).