(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

C21H18ClNO4S — CID 135309697

IUPAC(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(Cl)c2c1CC[C@H]2C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C21H18ClNO4S/c1-27-18-12-11-17(22)20-15(18)9-10-16(20)21(24)23-28(25,26)19-8-4-6-13-5-2-3-7-14(13)19/h2-8,11-12,16H,9-10H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyVDDCIRPYIADXQR-MRXNPFEDSA-N
MW415.90 g/mol
LogP4.04
Rot. Bonds4

About (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide

(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (PubChem CID 135309697) has the molecular formula C21H18ClNO4S and a molecular weight of 415.90 g/mol. Its IUPAC name is (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.

Molecular Properties

Compound Name(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
PubChem CID135309697
Molecular FormulaC21H18ClNO4S
Molecular Weight415.90 g/mol
Exact Mass415.06
IUPAC Name(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
SMILESCOc1ccc(Cl)c2c1CC[C@H]2C(=O)NS(=O)(=O)c1cccc2ccccc12
InChIInChI=1S/C21H18ClNO4S/c1-27-18-12-11-17(22)20-15(18)9-10-16(20)21(24)23-28(25,26)19-8-4-6-13-5-2-3-7-14(13)19/h2-8,11-12,16H,9-10H2,1H3,(H,23,24)/t16-/m1/s1
InChIKeyVDDCIRPYIADXQR-MRXNPFEDSA-N
XLogP4.04
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 7-methoxy-3-(naphthalen-1-ylsulfonylcarbamoyl)-2,3-dihydro-1H-indene-4-carboxylate
CID 135310189
(4S)-8-chloro-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313371
5,6-dimethoxy-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309963
4,7-dimethoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310046
4-bromo-7-ethoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309735
5-methoxy-N-naphthalen-1-ylsulfonyl-8-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135309977
(4S)-8-cyano-5-methoxy-2,2-dimethyl-N-naphthalen-1-ylsulfonyl-3,4-dihydrochromene-4-carboxamide
CID 135313383
(4S)-8-cyclopentyl-5-methoxy-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313457
8-bromo-5-(2-hydroxy-2-methylpropoxy)-N-naphthalen-1-ylsulfonyl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 135310012
(4S)-8-chloro-N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 135313344
(1R)-4-cyclobutyl-7-methoxy-N-quinolin-5-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135309685
(1R)-4-cyclobutyl-7-methoxy-N-(2-methylquinolin-5-yl)sulfonyl-2,3-dihydro-1H-indene-1-carboxamide
CID 135310308

Frequently Asked Questions

What is the IUPAC name of (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The IUPAC name of (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide (CID 135309697) is (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide.
What is the SMILES notation for (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The canonical SMILES for (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is COc1ccc(Cl)c2c1CC[C@H]2C(=O)NS(=O)(=O)c1cccc2ccccc12.
What is the InChIKey of (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
The InChIKey is VDDCIRPYIADXQR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H18ClNO4S/c1-27-18-12-11-17(22)20-15(18)9-10-16(20)21(24)23-28(25,26)19-8-4-6-13-5-2-3-7-14(13)19/h2-8,11-12,16H,9-10H2,1H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide?
(1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide has a molecular weight of 415.90 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-chloro-4-methoxy-N-naphthalen-1-ylsulfonyl-2,3-dihydro-1H-indene-1-carboxamide is sourced from PubChem (CID 135309697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).