3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride

C13H16ClNO3S — CID 113488782

IUPAC3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride
SMILESCCC1(NC(=O)c2cccc(S(=O)(=O)Cl)c2)CCC1
InChIInChI=1S/C13H16ClNO3S/c1-2-13(7-4-8-13)15-12(16)10-5-3-6-11(9-10)19(14,17)18/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,16)
InChIKeyZKTRUZGBXAKKHA-UHFFFAOYSA-N
MW301.79 g/mol
LogP2.68
Rot. Bonds4

About 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride

3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride (PubChem CID 113488782) has the molecular formula C13H16ClNO3S and a molecular weight of 301.79 g/mol. Its IUPAC name is 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride
PubChem CID113488782
Molecular FormulaC13H16ClNO3S
Molecular Weight301.79 g/mol
Exact Mass301.05
IUPAC Name3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride
SMILESCCC1(NC(=O)c2cccc(S(=O)(=O)Cl)c2)CCC1
InChIInChI=1S/C13H16ClNO3S/c1-2-13(7-4-8-13)15-12(16)10-5-3-6-11(9-10)19(14,17)18/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,16)
InChIKeyZKTRUZGBXAKKHA-UHFFFAOYSA-N
XLogP2.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 107980571
4-bromo-N-(1-ethylcyclobutyl)-3-hydroxybenzamide
CID 113358588
3-bromo-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 115673069
3-amino-N-(1-ethylcyclobutyl)-4-methylbenzamide
CID 113266948
N-[1-(aminomethyl)cyclopentyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 119564871
3-(3-methylbutylcarbamoyl)benzenesulfonyl chloride
CID 18072891
3-[1-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 43533927
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
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N-[4-(bromomethyl)oxan-4-yl]-3-methylsulfonylbenzamide
CID 106300829

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride?
The IUPAC name of 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride (CID 113488782) is 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride.
What is the SMILES notation for 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride?
The canonical SMILES for 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride is CCC1(NC(=O)c2cccc(S(=O)(=O)Cl)c2)CCC1.
What is the InChIKey of 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride?
The InChIKey is ZKTRUZGBXAKKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO3S/c1-2-13(7-4-8-13)15-12(16)10-5-3-6-11(9-10)19(14,17)18/h3,5-6,9H,2,4,7-8H2,1H3,(H,15,16).
What are the key properties of 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride?
3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride has a molecular weight of 301.79 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclobutyl)carbamoyl]benzenesulfonyl chloride is sourced from PubChem (CID 113488782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).