N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

C19H23NO4S — CID 94501246

IUPACN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C19H23NO4S/c1-13(15-8-7-14-5-4-6-16(14)11-15)20-25(21,22)17-9-10-18(23-2)19(12-17)24-3/h7-13,20H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyJDSMPPFNAJUCKD-ZDUSSCGKSA-N
MW361.46 g/mol
LogP3.23
Rot. Bonds6

About N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (PubChem CID 94501246) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
PubChem CID94501246
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC NameN-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1OC
InChIInChI=1S/C19H23NO4S/c1-13(15-8-7-14-5-4-6-16(14)11-15)20-25(21,22)17-9-10-18(23-2)19(12-17)24-3/h7-13,20H,4-6H2,1-3H3/t13-/m0/s1
InChIKeyJDSMPPFNAJUCKD-ZDUSSCGKSA-N
XLogP3.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133189130
3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188828
4-methoxy-3-propan-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 133190837
2,3-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188758
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
N-[1-(3,4-dimethoxyphenyl)ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 46778206
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 133186047
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 92684806
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide (CID 94501246) is N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cc1OC.
What is the InChIKey of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is JDSMPPFNAJUCKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13(15-8-7-14-5-4-6-16(14)11-15)20-25(21,22)17-9-10-18(23-2)19(12-17)24-3/h7-13,20H,4-6H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide?
N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide has a molecular weight of 361.46 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 94501246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).