5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride

C12H14ClNO4S — CID 65371454

IUPAC5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(=O)N(C)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H14ClNO4S/c1-14(9-4-5-9)12(15)8-3-6-10(18-2)11(7-8)19(13,16)17/h3,6-7,9H,4-5H2,1-2H3
InChIKeyUOIFQWUSMAOEFE-UHFFFAOYSA-N
MW303.77 g/mol
LogP1.86
Rot. Bonds4

About 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride

5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride (PubChem CID 65371454) has the molecular formula C12H14ClNO4S and a molecular weight of 303.77 g/mol. Its IUPAC name is 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
PubChem CID65371454
Molecular FormulaC12H14ClNO4S
Molecular Weight303.77 g/mol
Exact Mass303.03
IUPAC Name5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride
SMILESCOc1ccc(C(=O)N(C)C2CC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H14ClNO4S/c1-14(9-4-5-9)12(15)8-3-6-10(18-2)11(7-8)19(13,16)17/h3,6-7,9H,4-5H2,1-2H3
InChIKeyUOIFQWUSMAOEFE-UHFFFAOYSA-N
XLogP1.86
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-methyl-N-(4-methylcyclohexyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 27165164
5-acetyl-2-methoxybenzenesulfonyl chloride
CID 4737384
N-cyclohexyl-3-(3,5-dimethylpiperidin-1-yl)sulfonyl-4-methoxy-N-methylbenzamide
CID 55334509
3,4-dimethoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79118265
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-3-methoxy-N-methylbenzamide
CID 47414265
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 79770004
3-hydroxy-4-methoxy-N-methyl-N-(4-oxocyclohexyl)benzamide
CID 79726601
2-methoxy-5-(propylcarbamoyl)benzenesulfonyl chloride
CID 65368631
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
methyl 2-[2-methoxy-4-[methyl-(4-phenylcyclohexyl)carbamoyl]phenoxy]acetate
CID 55774982
N-(2,3-dihydro-1H-inden-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 51092161

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride (CID 65371454) is 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride is COc1ccc(C(=O)N(C)C2CC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride?
The InChIKey is UOIFQWUSMAOEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO4S/c1-14(9-4-5-9)12(15)8-3-6-10(18-2)11(7-8)19(13,16)17/h3,6-7,9H,4-5H2,1-2H3.
What are the key properties of 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride?
5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride has a molecular weight of 303.77 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(methyl)carbamoyl]-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 65371454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).