1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene

C16H16ClN2O4S- — CID 70023638

IUPAC1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene
SMILESCOc1c(Cl)cccc1C(=O)NCCc1cccc(NS(=O)[O-])c1
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-13(6-3-7-14(15)17)16(20)18-9-8-11-4-2-5-12(10-11)19-24(21)22/h2-7,10,19H,8-9H2,1H3,(H,18,20)(H,21,22)/p-1
InChIKeyFOUDPTADMWIREL-UHFFFAOYSA-M
MW367.83 g/mol
LogP2.53
Rot. Bonds7

About 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene

1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene (PubChem CID 70023638) has the molecular formula C16H16ClN2O4S- and a molecular weight of 367.83 g/mol. Its IUPAC name is 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene.

Molecular Properties

Compound Name1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene
PubChem CID70023638
Molecular FormulaC16H16ClN2O4S-
Molecular Weight367.83 g/mol
Exact Mass367.05
IUPAC Name1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene
SMILESCOc1c(Cl)cccc1C(=O)NCCc1cccc(NS(=O)[O-])c1
InChIInChI=1S/C16H17ClN2O4S/c1-23-15-13(6-3-7-14(15)17)16(20)18-9-8-11-4-2-5-12(10-11)19-24(21)22/h2-7,10,19H,8-9H2,1H3,(H,18,20)(H,21,22)/p-1
InChIKeyFOUDPTADMWIREL-UHFFFAOYSA-M
XLogP2.53
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-N-[2-(3-chlorophenyl)ethyl]-4-methoxybenzamide
CID 18276119
ethyl N-[4-[2-[(3-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonyl-N-methylcarbamate
CID 70623296
2-chloro-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 873795
3-chloro-2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 146152213
N-[2-(3-acetamido-4-methoxyphenyl)ethyl]-2-chlorobenzamide
CID 110790237
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
5-chloro-2-methoxy-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761198
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542
2-amino-4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107843328
N-[2-(3-chlorophenyl)ethyl]-1-methylindole-4-carboxamide
CID 112529597

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene?
The IUPAC name of 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene (CID 70023638) is 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene.
What is the SMILES notation for 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene?
The canonical SMILES for 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene is COc1c(Cl)cccc1C(=O)NCCc1cccc(NS(=O)[O-])c1.
What is the InChIKey of 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene?
The InChIKey is FOUDPTADMWIREL-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17ClN2O4S/c1-23-15-13(6-3-7-14(15)17)16(20)18-9-8-11-4-2-5-12(10-11)19-24(21)22/h2-7,10,19H,8-9H2,1H3,(H,18,20)(H,21,22)/p-1.
What are the key properties of 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene?
1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene has a molecular weight of 367.83 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-3-[2-[3-(sulfinatoamino)phenyl]ethylcarbamoyl]benzene is sourced from PubChem (CID 70023638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).