2-(aminomethyl)naphthalene-1-sulfonyl chloride

C11H10ClNO2S — CID 138532369

IUPAC2-(aminomethyl)naphthalene-1-sulfonyl chloride
SMILESNCc1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H10ClNO2S/c12-16(14,15)11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H,7,13H2
InChIKeyIDXGTPXQJFIICM-UHFFFAOYSA-N
MW255.73 g/mol
LogP2.23
Rot. Bonds2

About 2-(aminomethyl)naphthalene-1-sulfonyl chloride

2-(aminomethyl)naphthalene-1-sulfonyl chloride (PubChem CID 138532369) has the molecular formula C11H10ClNO2S and a molecular weight of 255.73 g/mol. Its IUPAC name is 2-(aminomethyl)naphthalene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(aminomethyl)naphthalene-1-sulfonyl chloride
PubChem CID138532369
Molecular FormulaC11H10ClNO2S
Molecular Weight255.73 g/mol
Exact Mass255.01
IUPAC Name2-(aminomethyl)naphthalene-1-sulfonyl chloride
SMILESNCc1ccc2ccccc2c1S(=O)(=O)Cl
InChIInChI=1S/C11H10ClNO2S/c12-16(14,15)11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H,7,13H2
InChIKeyIDXGTPXQJFIICM-UHFFFAOYSA-N
XLogP2.23
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylnaphthalene-1-sulfonyl chloride
CID 18388568
(1-chloronaphthalen-2-yl)methanamine
CID 22286820
2-(2-aminoethyl)naphthalene-1-sulfonamide
CID 67868912
1-chlorosulfonylnaphthalene-2-carboxylic acid
CID 131505334
CID 87686607
CID 87686607
naphthalene-1,2,3-trisulfonyl chloride
CID 22598894
azane;2-[(1-sulfonaphthalen-2-yl)methyl]naphthalene-1-sulfonic acid
CID 138400262
methyl 2-ethylnaphthalene-1-sulfonate
CID 20566166
CID 87562735
CID 87562735
potassium 2-aminonaphthalene-1-sulfonate
CID 23709766
(4-ethylsulfonylnaphthalen-1-yl)methanamine
CID 97034076
6-(aminomethyl)-3-cyano-2-(difluoromethoxy)benzenesulfonyl chloride
CID 131508861

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)naphthalene-1-sulfonyl chloride?
The IUPAC name of 2-(aminomethyl)naphthalene-1-sulfonyl chloride (CID 138532369) is 2-(aminomethyl)naphthalene-1-sulfonyl chloride.
What is the SMILES notation for 2-(aminomethyl)naphthalene-1-sulfonyl chloride?
The canonical SMILES for 2-(aminomethyl)naphthalene-1-sulfonyl chloride is NCc1ccc2ccccc2c1S(=O)(=O)Cl.
What is the InChIKey of 2-(aminomethyl)naphthalene-1-sulfonyl chloride?
The InChIKey is IDXGTPXQJFIICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2S/c12-16(14,15)11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-6H,7,13H2.
What are the key properties of 2-(aminomethyl)naphthalene-1-sulfonyl chloride?
2-(aminomethyl)naphthalene-1-sulfonyl chloride has a molecular weight of 255.73 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)naphthalene-1-sulfonyl chloride is sourced from PubChem (CID 138532369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).