1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene

C16H21N3O2S — CID 112982256

IUPAC1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
SMILESCC(Nc1ccc(NS(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C16H21N3O2S/c1-13(14-7-5-4-6-8-14)17-15-9-11-16(12-10-15)18-22(20,21)19(2)3/h4-13,17-18H,1-3H3
InChIKeyQOCXOPFKHQSTEV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.08
Rot. Bonds6

About 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene

1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene (PubChem CID 112982256) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
PubChem CID112982256
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene
SMILESCC(Nc1ccc(NS(=O)(=O)N(C)C)cc1)c1ccccc1
InChIInChI=1S/C16H21N3O2S/c1-13(14-7-5-4-6-8-14)17-15-9-11-16(12-10-15)18-22(20,21)19(2)3/h4-13,17-18H,1-3H3
InChIKeyQOCXOPFKHQSTEV-UHFFFAOYSA-N
XLogP3.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(dimethylsulfamoylamino)-4-(propan-2-ylamino)benzene
CID 112979882
1-[4-(dimethylsulfamoylamino)phenyl]-4-[[(1S)-1-phenylethyl]amino]piperidine
CID 42451286
4-N-[(1R)-1-phenylethyl]benzene-1,4-diamine
CID 28902579
4-fluoro-3-methyl-N-[4-(1-phenylethylamino)phenyl]benzenesulfonamide
CID 112982261
N-[3-(1-phenylethylamino)phenyl]methanesulfonamide
CID 43208081
4-(dimethylsulfamoylamino)benzoic acid
CID 653734
1-(dimethylsulfamoylamino)-4-formylbenzene
CID 58614334
[4-(1-phenylethylamino)phenyl]methanol
CID 112706513
methyl 4-(1-phenylethylamino)benzoate
CID 43217232
2-fluoro-1-N-methyl-4-N-(1-phenylethyl)-1-N-propan-2-ylbenzene-1,4-diamine
CID 43679351
N-(1-phenylethyl)-4-propylaniline
CID 43078217
1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
CID 66658186

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene (CID 112982256) is 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene is CC(Nc1ccc(NS(=O)(=O)N(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene?
The InChIKey is QOCXOPFKHQSTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-13(14-7-5-4-6-8-14)17-15-9-11-16(12-10-15)18-22(20,21)19(2)3/h4-13,17-18H,1-3H3.
What are the key properties of 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene?
1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene has a molecular weight of 319.43 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-4-(1-phenylethylamino)benzene is sourced from PubChem (CID 112982256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).