1-butylnaphthalene-2-sulfonyl chloride

C14H15ClO2S — CID 21243977

IUPAC1-butylnaphthalene-2-sulfonyl chloride
SMILESCCCCc1c(S(=O)(=O)Cl)ccc2ccccc12
InChIInChI=1S/C14H15ClO2S/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)18(15,16)17/h4-6,8-10H,2-3,7H2,1H3
InChIKeyPCXXBJWJSPWZLT-UHFFFAOYSA-N
MW282.79 g/mol
LogP4.11
Rot. Bonds4

About 1-butylnaphthalene-2-sulfonyl chloride

1-butylnaphthalene-2-sulfonyl chloride (PubChem CID 21243977) has the molecular formula C14H15ClO2S and a molecular weight of 282.79 g/mol. Its IUPAC name is 1-butylnaphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name1-butylnaphthalene-2-sulfonyl chloride
PubChem CID21243977
Molecular FormulaC14H15ClO2S
Molecular Weight282.79 g/mol
Exact Mass282.05
IUPAC Name1-butylnaphthalene-2-sulfonyl chloride
SMILESCCCCc1c(S(=O)(=O)Cl)ccc2ccccc12
InChIInChI=1S/C14H15ClO2S/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)18(15,16)17/h4-6,8-10H,2-3,7H2,1H3
InChIKeyPCXXBJWJSPWZLT-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

potassium 1-butylnaphthalene-2-sulfonate
CID 101317127
sodium 1-pentylnaphthalene-2-sulfonate
CID 101315157
calcium bis(1-nonylnaphthalene-2-sulfonate)
CID 101317382
1,2-dibutylnaphthalene;naphthalene
CID 157292740
potassium 3,4-dibutylnaphthalene-2-sulfonate
CID 101323901
1,2-di(pentadecyl)naphthalene;sulfuric acid
CID 172768972
3,4-dihexylnaphthalene-2-sulfonic acid
CID 101319395
9,10-dibutylanthracene
CID 605822
1,2-dibutyl-3-propan-2-ylnaphthalene
CID 154241338
(1-butylnaphthalen-2-yl)methanamine;hydrochloride
CID 118513377
barium(2+);bis(3,4-di(nonyl)naphthalene-2-sulfonate)
CID 15173919
sodium 3,4-di(tridecyl)naphthalene-2-sulfonate
CID 101325168

Frequently Asked Questions

What is the IUPAC name of 1-butylnaphthalene-2-sulfonyl chloride?
The IUPAC name of 1-butylnaphthalene-2-sulfonyl chloride (CID 21243977) is 1-butylnaphthalene-2-sulfonyl chloride.
What is the SMILES notation for 1-butylnaphthalene-2-sulfonyl chloride?
The canonical SMILES for 1-butylnaphthalene-2-sulfonyl chloride is CCCCc1c(S(=O)(=O)Cl)ccc2ccccc12.
What is the InChIKey of 1-butylnaphthalene-2-sulfonyl chloride?
The InChIKey is PCXXBJWJSPWZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2S/c1-2-3-7-13-12-8-5-4-6-11(12)9-10-14(13)18(15,16)17/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of 1-butylnaphthalene-2-sulfonyl chloride?
1-butylnaphthalene-2-sulfonyl chloride has a molecular weight of 282.79 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylnaphthalene-2-sulfonyl chloride is sourced from PubChem (CID 21243977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).