N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide

C19H25FN2O2S — CID 113263718

IUPACN-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccccc2)cc(CNC(C)C)c1F
InChIInChI=1S/C19H25FN2O2S/c1-14(2)21-12-17-11-18(10-15(3)19(17)20)25(23,24)22(4)13-16-8-6-5-7-9-16/h5-11,14,21H,12-13H2,1-4H3
InChIKeyDSJXQCKXDBATAG-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.45
Rot. Bonds7

About N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide

N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide (PubChem CID 113263718) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
PubChem CID113263718
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC NameN-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)Cc2ccccc2)cc(CNC(C)C)c1F
InChIInChI=1S/C19H25FN2O2S/c1-14(2)21-12-17-11-18(10-15(3)19(17)20)25(23,24)22(4)13-16-8-6-5-7-9-16/h5-11,14,21H,12-13H2,1-4H3
InChIKeyDSJXQCKXDBATAG-UHFFFAOYSA-N
XLogP3.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N,3-dimethyl-5-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 81435959
N-benzyl-N-methyl-2-[(propan-2-ylamino)methyl]aniline
CID 43280656
4-fluoro-3-(hydroxymethyl)-N,5-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 81435406
1-N,4-N-dibenzyl-4-N-ethyl-1-N-methylbenzene-1,4-disulfonamide
CID 1167043
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
4-chloro-3-fluoro-N-methyl-N-propan-2-yl-5-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81450479
methyl 5-[benzyl(methyl)sulfamoyl]-2-methylbenzoate
CID 96566230
3-(chloromethyl)-N-(cyclopentylmethyl)-4-fluoro-N,5-dimethylbenzenesulfonamide
CID 81427428
3-amino-4-fluoro-N,5-dimethyl-N-(thiophen-3-ylmethyl)benzenesulfonamide
CID 115421234
N-(cyclopropylmethyl)-4-fluoro-3-(hydroxymethyl)-N,5-dimethylbenzenesulfonamide
CID 81434987
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 19109362

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide (CID 113263718) is N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide is Cc1cc(S(=O)(=O)N(C)Cc2ccccc2)cc(CNC(C)C)c1F.
What is the InChIKey of N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
The InChIKey is DSJXQCKXDBATAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-14(2)21-12-17-11-18(10-15(3)19(17)20)25(23,24)22(4)13-16-8-6-5-7-9-16/h5-11,14,21H,12-13H2,1-4H3.
What are the key properties of N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide?
N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide has a molecular weight of 364.49 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N,3-dimethyl-5-[(propan-2-ylamino)methyl]benzenesulfonamide is sourced from PubChem (CID 113263718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).