N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide

C18H24N2O2S — CID 60604204

IUPACN-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1C
InChIInChI=1S/C18H24N2O2S/c1-15-10-11-18(14-16(15)2)23(21,22)20(13-12-19(3)4)17-8-6-5-7-9-17/h5-11,14H,12-13H2,1-4H3
InChIKeyXPWCSBVDTUKIQH-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.06
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide

N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide (PubChem CID 60604204) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
PubChem CID60604204
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1C
InChIInChI=1S/C18H24N2O2S/c1-15-10-11-18(14-16(15)2)23(21,22)20(13-12-19(3)4)17-8-6-5-7-9-17/h5-11,14H,12-13H2,1-4H3
InChIKeyXPWCSBVDTUKIQH-UHFFFAOYSA-N
XLogP3.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 38868903
N-[2-(dimethylamino)ethyl]-2-methyl-5-nitro-N-phenylbenzenesulfonamide
CID 47085851
N-[2-(dimethylamino)ethyl]-4,5-dimethoxy-2-methyl-N-phenylbenzenesulfonamide
CID 60609634
N-(furan-2-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 17458263
N-[3-(dimethylamino)propyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 30271841
N-[2-(dimethylamino)ethyl]-2,4-dioxo-N-phenyl-1H-quinazoline-6-sulfonamide
CID 60609383
N-[2-(dimethylamino)ethyl]-4-(2-methoxyethoxy)-N-phenylbenzenesulfonamide
CID 60609661
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
N-[2-(dimethylamino)ethyl]-2-methoxy-5-nitro-N-phenylbenzenesulfonamide
CID 60604235
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-3,4-dimethyl-N-phenylbenzenesulfonamide
CID 90570380
N-benzyl-N-ethyl-3,4-dimethylbenzenesulfonamide
CID 35767176
N-(2-hydroxyethyl)-N-phenylnaphthalene-2-sulfonamide
CID 38869062

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide (CID 60604204) is N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(CCN(C)C)c2ccccc2)cc1C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide?
The InChIKey is XPWCSBVDTUKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-15-10-11-18(14-16(15)2)23(21,22)20(13-12-19(3)4)17-8-6-5-7-9-17/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide?
N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide has a molecular weight of 332.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3,4-dimethyl-N-phenylbenzenesulfonamide is sourced from PubChem (CID 60604204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).