4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride

C13H17Cl2NO4S — CID 82942854

IUPAC4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Cl)C(C)C
InChIInChI=1S/C13H17Cl2NO4S/c1-9(2)16(6-7-20-3)13(17)11-8-10(21(15,18)19)4-5-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHRKYBEKUIWQMAL-UHFFFAOYSA-N
MW354.26 g/mol
LogP2.76
Rot. Bonds6

About 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride

4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride (PubChem CID 82942854) has the molecular formula C13H17Cl2NO4S and a molecular weight of 354.26 g/mol. Its IUPAC name is 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
PubChem CID82942854
Molecular FormulaC13H17Cl2NO4S
Molecular Weight354.26 g/mol
Exact Mass353.03
IUPAC Name4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride
SMILESCOCCN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Cl)C(C)C
InChIInChI=1S/C13H17Cl2NO4S/c1-9(2)16(6-7-20-3)13(17)11-8-10(21(15,18)19)4-5-12(11)14/h4-5,8-9H,6-7H2,1-3H3
InChIKeyHRKYBEKUIWQMAL-UHFFFAOYSA-N
XLogP2.76
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[butan-2-yl(ethyl)carbamoyl]-4-chlorobenzenesulfonyl chloride
CID 65370343
4-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-3-carboxamide
CID 82948658
2-chloro-N-(2-methoxyethyl)-N-pentan-3-yl-5-sulfanylbenzamide
CID 107026543
4-chloro-3-(2-propan-2-yloxyethylcarbamoyl)benzenesulfonyl chloride
CID 104766605
2-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridine-4-carboxamide
CID 82948759
4-chloro-3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 65368010
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
2-methoxyethyl 5-chlorosulfonyl-2-methylbenzoate
CID 65375266
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
4-chloro-3-[methyl(pentyl)carbamoyl]benzenesulfonyl chloride
CID 65370538
4-chloro-3-(2-ethoxyethylcarbamoyl)benzenesulfonyl chloride
CID 65371525
2-amino-5-fluoro-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82949201

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride (CID 82942854) is 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride is COCCN(C(=O)c1cc(S(=O)(=O)Cl)ccc1Cl)C(C)C.
What is the InChIKey of 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is HRKYBEKUIWQMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO4S/c1-9(2)16(6-7-20-3)13(17)11-8-10(21(15,18)19)4-5-12(11)14/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride?
4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 354.26 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-methoxyethyl(propan-2-yl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 82942854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).