3-butylazulene-1-sulfonyl chloride

C14H15ClO2S — CID 11778555

IUPAC3-butylazulene-1-sulfonyl chloride
SMILESCCCCc1cc(S(=O)(=O)Cl)c2cccccc1-2
InChIInChI=1S/C14H15ClO2S/c1-2-3-7-11-10-14(18(15,16)17)13-9-6-4-5-8-12(11)13/h4-6,8-10H,2-3,7H2,1H3
InChIKeyHOQSYRJNOYDJMS-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.06
Rot. Bonds4

About 3-butylazulene-1-sulfonyl chloride

3-butylazulene-1-sulfonyl chloride (PubChem CID 11778555) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 3-butylazulene-1-sulfonyl chloride.

Molecular Properties

Compound Name3-butylazulene-1-sulfonyl chloride
PubChem CID11778555
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name3-butylazulene-1-sulfonyl chloride
SMILESCCCCc1cc(S(=O)(=O)Cl)c2cccccc1-2
InChIInChI=1S/C14H15ClO2S/c1-2-3-7-11-10-14(18(15,16)17)13-9-6-4-5-8-12(11)13/h4-6,8-10H,2-3,7H2,1H3
InChIKeyHOQSYRJNOYDJMS-UHFFFAOYSA-N
XLogP4.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-hexylazulene-1-sulfonic acid
CID 102439861
sodium;hydride;3-propylazulene-1-sulfonic acid
CID 173410136
4-amino-6-butylbenzene-1,3-disulfonyl chloride
CID 154207935
1,4-dibutyl-2-ethyl-5-(2-phenylphenyl)benzene
CID 174571021
1-butylnaphthalene-2-sulfonyl chloride
CID 21243977
1-butyl-2-phenylbenzene;chlorosilane
CID 157433440
sodium;hydride;3-pentyl-7-propan-2-ylazulene-1-sulfonic acid
CID 173409983
CID 159940559
CID 159940559
phenyl 2-butylbenzenesulfonate
CID 140976064
2-butoxybenzenesulfonyl chloride
CID 21253032
1-butylfluoren-9-one
CID 14598470
potassium;2-butylbenzenesulfonic acid;hydride
CID 173092606

Frequently Asked Questions

What is the IUPAC name of 3-butylazulene-1-sulfonyl chloride?
The IUPAC name of 3-butylazulene-1-sulfonyl chloride (CID 11778555) is 3-butylazulene-1-sulfonyl chloride.
What is the SMILES notation for 3-butylazulene-1-sulfonyl chloride?
The canonical SMILES for 3-butylazulene-1-sulfonyl chloride is CCCCc1cc(S(=O)(=O)Cl)c2cccccc1-2.
What is the InChIKey of 3-butylazulene-1-sulfonyl chloride?
The InChIKey is HOQSYRJNOYDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-2-3-7-11-10-14(18(15,16)17)13-9-6-4-5-8-12(11)13/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 3-butylazulene-1-sulfonyl chloride?
3-butylazulene-1-sulfonyl chloride has a molecular weight of 282.79 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylazulene-1-sulfonyl chloride is sourced from PubChem (CID 11778555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).