5-(dimethylamino)naphthalene-1-sulfonyl chloride

C12H12ClNO2S — CID 11801

IUPAC5-(dimethylamino)naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
InChIKeyXPDXVDYUQZHFPV-UHFFFAOYSA-N
MW269.75 g/mol
LogP2.83
Rot. Bonds2

About 5-(dimethylamino)naphthalene-1-sulfonyl chloride

5-(dimethylamino)naphthalene-1-sulfonyl chloride (PubChem CID 11801) has the molecular formula C12H12ClNO2S and a molecular weight of 269.75 g/mol. Its IUPAC name is 5-(dimethylamino)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name5-(dimethylamino)naphthalene-1-sulfonyl chloride
PubChem CID11801
Molecular FormulaC12H12ClNO2S
Molecular Weight269.75 g/mol
Exact Mass269.03
IUPAC Name5-(dimethylamino)naphthalene-1-sulfonyl chloride
SMILESCN(C)c1cccc2c(S(=O)(=O)Cl)cccc12
InChIInChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3
InChIKeyXPDXVDYUQZHFPV-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.75
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 1369
CID 1369
CID 65077
CID 65077
CID 6793
CID 6793
CID 4247
CID 4247
CID 94442
CID 94442
CID 1792
CID 1792
CID 6722
CID 6722
CID 120066
CID 120066
CID 150643
CID 150643
CID 23665720
CID 23665720
CID 738896
CID 738896
CID 12910720
CID 12910720

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The IUPAC name of 5-(dimethylamino)naphthalene-1-sulfonyl chloride (CID 11801) is 5-(dimethylamino)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 5-(dimethylamino)naphthalene-1-sulfonyl chloride is CN(C)c1cccc2c(S(=O)(=O)Cl)cccc12.
What is the InChIKey of 5-(dimethylamino)naphthalene-1-sulfonyl chloride?
The InChIKey is XPDXVDYUQZHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3.
What are the key properties of 5-(dimethylamino)naphthalene-1-sulfonyl chloride?
5-(dimethylamino)naphthalene-1-sulfonyl chloride has a molecular weight of 269.75 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 11801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).