N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide

C18H23NO3S — CID 15943814

IUPACN-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H23NO3S/c1-4-10-22-17-11-14(2)15(3)12-18(17)23(20,21)19-13-16-8-6-5-7-9-16/h5-9,11-12,19H,4,10,13H2,1-3H3
InChIKeyMOWAXFNPELJMOF-UHFFFAOYSA-N
MW333.45 g/mol
LogP3.57
Rot. Bonds7

About N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide

N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide (PubChem CID 15943814) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
PubChem CID15943814
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC NameN-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide
SMILESCCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1
InChIInChI=1S/C18H23NO3S/c1-4-10-22-17-11-14(2)15(3)12-18(17)23(20,21)19-13-16-8-6-5-7-9-16/h5-9,11-12,19H,4,10,13H2,1-3H3
InChIKeyMOWAXFNPELJMOF-UHFFFAOYSA-N
XLogP3.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-butoxy-4-methylbenzenesulfonamide
CID 16645128
N-benzyl-5-ethyl-2-methoxybenzenesulfonamide
CID 847868
4-methyl-5-propan-2-yl-2-propoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16645159
N-[(2-chlorophenyl)methyl]-4-methyl-5-propan-2-yl-2-propoxybenzenesulfonamide
CID 146095953
N-benzyl-2-methoxy-4-methylbenzenesulfonamide
CID 801458
N-benzyl-5-chloro-2-ethoxybenzenesulfonamide
CID 2992012
4,5-dimethyl-N-(6-methyl-2-pyridinyl)-2-propoxybenzenesulfonamide
CID 16644972
N-benzyl-2,4-dibromo-5-methylbenzenesulfonamide
CID 50876820
N-benzyl-5-chloro-2-methoxybenzenesulfonamide
CID 801444
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
N-benzyl-5-iodo-2-methoxybenzenesulfonamide
CID 1325962
5-bromo-2-propoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 27266270

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide?
The IUPAC name of N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide (CID 15943814) is N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide.
What is the SMILES notation for N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide?
The canonical SMILES for N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide is CCCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide?
The InChIKey is MOWAXFNPELJMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-4-10-22-17-11-14(2)15(3)12-18(17)23(20,21)19-13-16-8-6-5-7-9-16/h5-9,11-12,19H,4,10,13H2,1-3H3.
What are the key properties of N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide?
N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,5-dimethyl-2-propoxybenzenesulfonamide is sourced from PubChem (CID 15943814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).