5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride

C14H18ClNO4S — CID 65370930

IUPAC5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1ccc(C(=O)NCC2CCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-20-9-12-6-5-11(7-13(12)21(15,18)19)14(17)16-8-10-3-2-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyCJKNBSKHSTXORA-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.29
Rot. Bonds6

About 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride

5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride (PubChem CID 65370930) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
PubChem CID65370930
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
SMILESCOCc1ccc(C(=O)NCC2CCC2)cc1S(=O)(=O)Cl
InChIInChI=1S/C14H18ClNO4S/c1-20-9-12-6-5-11(7-13(12)21(15,18)19)14(17)16-8-10-3-2-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)
InChIKeyCJKNBSKHSTXORA-UHFFFAOYSA-N
XLogP2.29
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(methoxymethyl)-5-(3-methoxypropylcarbamoyl)benzenesulfonyl chloride
CID 65367566
5-(butan-2-ylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride
CID 65368758
2-ethyl-5-(oxolan-3-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65396832
2-ethyl-5-(2-methoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65368607
2-methoxy-5-(oxolan-2-ylmethylcarbamoyl)benzenesulfonyl chloride
CID 65368575
5-[ethyl(propan-2-yl)carbamoyl]-2-(methoxymethyl)benzenesulfonyl chloride
CID 65370308
2-ethyl-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397363
oxolan-3-yl 3-chlorosulfonyl-4-(methoxymethyl)benzoate
CID 65375309
3-bromo-5-(cyclopropylmethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65371615
5-(2,2-dimethylbutylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 103465603
5-(cyclohexylcarbamoyl)-2-ethylbenzenesulfonyl chloride
CID 65367205
N-[[(1S,3R)-3-[[(3,4-dimethoxybenzoyl)amino]methyl]cyclohexyl]methyl]-3,4-dimethoxybenzamide
CID 1104771

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride?
The IUPAC name of 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride (CID 65370930) is 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride?
The canonical SMILES for 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride is COCc1ccc(C(=O)NCC2CCC2)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride?
The InChIKey is CJKNBSKHSTXORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c1-20-9-12-6-5-11(7-13(12)21(15,18)19)14(17)16-8-10-3-2-4-10/h5-7,10H,2-4,8-9H2,1H3,(H,16,17).
What are the key properties of 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride?
5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride has a molecular weight of 331.82 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethylcarbamoyl)-2-(methoxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 65370930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).