N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide

C18H17NO2S — CID 12853131

IUPACN,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H17NO2S/c1-14-10-12-16(13-11-14)22(20,21)19(2)18-9-5-7-15-6-3-4-8-17(15)18/h3-13H,1-2H3
InChIKeyKRESJXCBBXPZQS-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.97
Rot. Bonds3

About N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide

N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide (PubChem CID 12853131) has the molecular formula C18H17NO2S and a molecular weight of 311.41 g/mol. Its IUPAC name is N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide
PubChem CID12853131
Molecular FormulaC18H17NO2S
Molecular Weight311.41 g/mol
Exact Mass311.10
IUPAC NameN,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)c2cccc3ccccc23)cc1
InChIInChI=1S/C18H17NO2S/c1-14-10-12-16(13-11-14)22(20,21)19(2)18-9-5-7-15-6-3-4-8-17(15)18/h3-13H,1-2H3
InChIKeyKRESJXCBBXPZQS-UHFFFAOYSA-N
XLogP3.97
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide (CID 12853131) is N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)c2cccc3ccccc23)cc1.
What is the InChIKey of N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide?
The InChIKey is KRESJXCBBXPZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2S/c1-14-10-12-16(13-11-14)22(20,21)19(2)18-9-5-7-15-6-3-4-8-17(15)18/h3-13H,1-2H3.
What are the key properties of N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide?
N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide has a molecular weight of 311.41 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-naphthalen-1-ylbenzenesulfonamide is sourced from PubChem (CID 12853131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).