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

C18H20ClNO3S — CID 133188828

IUPAC3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-12(14-7-6-13-4-3-5-15(13)10-14)20-24(21,22)16-8-9-18(23-2)17(19)11-16/h6-12,20H,3-5H2,1-2H3
InChIKeyJVDQYPBDNIBZCH-UHFFFAOYSA-N
MW365.88 g/mol
LogP3.88
Rot. Bonds5

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

3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide (PubChem CID 133188828) has the molecular formula C18H20ClNO3S and a molecular weight of 365.88 g/mol. Its IUPAC name is 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
PubChem CID133188828
Molecular FormulaC18H20ClNO3S
Molecular Weight365.88 g/mol
Exact Mass365.09
IUPAC Name3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)CCC3)cc1Cl
InChIInChI=1S/C18H20ClNO3S/c1-12(14-7-6-13-4-3-5-15(13)10-14)20-24(21,22)16-8-9-18(23-2)17(19)11-16/h6-12,20H,3-5H2,1-2H3
InChIKeyJVDQYPBDNIBZCH-UHFFFAOYSA-N
XLogP3.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.88
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 94501246
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxy-3-propan-2-ylbenzenesulfonamide
CID 133189130
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-[(1S)-1-(4-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560375
N-[(1R)-1-(3-bromophenyl)ethyl]-3-chloro-4-methoxybenzenesulfonamide
CID 28560380
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]naphthalene-2-sulfonamide
CID 133188833
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzenesulfonamide
CID 127131113
N-[4-[[(1R)-1-(2,3-dihydro-1H-inden-5-yl)ethyl]sulfamoyl]phenyl]acetamide
CID 94501255
N-(1-phenylethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 42913053
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
N-(5-chloro-2,4-dimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 7510365

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide (CID 133188828) is 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2ccc3c(c2)CCC3)cc1Cl.
What is the InChIKey of 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide?
The InChIKey is JVDQYPBDNIBZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3S/c1-12(14-7-6-13-4-3-5-15(13)10-14)20-24(21,22)16-8-9-18(23-2)17(19)11-16/h6-12,20H,3-5H2,1-2H3.
What are the key properties of 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide?
3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide has a molecular weight of 365.88 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 133188828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).