3-(diethylsulfamoylamino)butylbenzene

C14H24N2O2S — CID 86915461

IUPAC3-(diethylsulfamoylamino)butylbenzene
SMILESCCN(CC)S(=O)(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)19(17,18)15-13(3)11-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3
InChIKeyGCWGRQMCCKMDED-UHFFFAOYSA-N
MW284.42 g/mol
LogP2.18
Rot. Bonds8

About 3-(diethylsulfamoylamino)butylbenzene

3-(diethylsulfamoylamino)butylbenzene (PubChem CID 86915461) has the molecular formula C14H24N2O2S and a molecular weight of 284.42 g/mol. Its IUPAC name is 3-(diethylsulfamoylamino)butylbenzene.

Molecular Properties

Compound Name3-(diethylsulfamoylamino)butylbenzene
PubChem CID86915461
Molecular FormulaC14H24N2O2S
Molecular Weight284.42 g/mol
Exact Mass284.16
IUPAC Name3-(diethylsulfamoylamino)butylbenzene
SMILESCCN(CC)S(=O)(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C14H24N2O2S/c1-4-16(5-2)19(17,18)15-13(3)11-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3
InChIKeyGCWGRQMCCKMDED-UHFFFAOYSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[3-(4-phenylbutan-2-ylamino)propyl]methanesulfonamide
CID 61014351
4-ethyl-N-[(2S)-4-phenylbutan-2-yl]benzenesulfonamide
CID 7765610
4-ethyl-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3870865
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 29206514
[(2R)-2-(diethylsulfamoylamino)-3-hydroxypropyl]benzene
CID 95040127
3-(4-phenylbutan-2-ylsulfamoyl)propanoic acid
CID 43361780
2-[2-(diethylsulfamoyl)ethyl]-1-ethyl-3-(4-phenylbutan-2-yl)guanidine
CID 111761605
1-(4-chlorophenyl)-N-[(2R)-4-phenylbutan-2-yl]methanesulfonamide
CID 2228868
N-(4-phenylbutan-2-yl)thiophene-2-sulfonamide
CID 3722193
4-(2-methylbutan-2-yl)-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 3305277
1-cyclohexyl-N-[(2S)-4-phenylbutan-2-yl]methanesulfonamide
CID 95733759
(2S)-N-cyclopropyl-2-(diethylsulfamoylamino)-3-phenylpropanamide
CID 94817333

Frequently Asked Questions

What is the IUPAC name of 3-(diethylsulfamoylamino)butylbenzene?
The IUPAC name of 3-(diethylsulfamoylamino)butylbenzene (CID 86915461) is 3-(diethylsulfamoylamino)butylbenzene.
What is the SMILES notation for 3-(diethylsulfamoylamino)butylbenzene?
The canonical SMILES for 3-(diethylsulfamoylamino)butylbenzene is CCN(CC)S(=O)(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 3-(diethylsulfamoylamino)butylbenzene?
The InChIKey is GCWGRQMCCKMDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-16(5-2)19(17,18)15-13(3)11-12-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3.
What are the key properties of 3-(diethylsulfamoylamino)butylbenzene?
3-(diethylsulfamoylamino)butylbenzene has a molecular weight of 284.42 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylsulfamoylamino)butylbenzene is sourced from PubChem (CID 86915461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).