2-(1-cyclopropylethylamino)benzenesulfonamide

C11H16N2O2S — CID 43533533

IUPAC2-(1-cyclopropylethylamino)benzenesulfonamide
SMILESCC(Nc1ccccc1S(N)(=O)=O)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-8(9-6-7-9)13-10-4-2-3-5-11(10)16(12,14)15/h2-5,8-9,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyDAVWZKLDMFVBAB-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.54
Rot. Bonds4

About 2-(1-cyclopropylethylamino)benzenesulfonamide

2-(1-cyclopropylethylamino)benzenesulfonamide (PubChem CID 43533533) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)benzenesulfonamide
PubChem CID43533533
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(1-cyclopropylethylamino)benzenesulfonamide
SMILESCC(Nc1ccccc1S(N)(=O)=O)C1CC1
InChIInChI=1S/C11H16N2O2S/c1-8(9-6-7-9)13-10-4-2-3-5-11(10)16(12,14)15/h2-5,8-9,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyDAVWZKLDMFVBAB-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylethylamino)-2-methylbenzenesulfonamide
CID 62631758
2-(1-piperidin-3-ylethylamino)benzenesulfonamide
CID 62046742
N-(1-cyclopentylethyl)-2-methylsulfonylaniline
CID 62631561
2-(2-sulfamoylanilino)propanoic acid
CID 43468805
N-(1-cyclopropylethyl)-2-propan-2-ylaniline
CID 43192462
N-(1-cyclopropylethyl)-2-fluoroaniline
CID 43194895
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-(4-hydroxybutan-2-ylamino)benzenesulfonamide
CID 83188457
N-(1-cyclopropylethyl)-2-(methylsulfinylmethyl)aniline
CID 104695196
2-(dicyclopropylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 61482608
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)benzenesulfonamide?
The IUPAC name of 2-(1-cyclopropylethylamino)benzenesulfonamide (CID 43533533) is 2-(1-cyclopropylethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(1-cyclopropylethylamino)benzenesulfonamide?
The canonical SMILES for 2-(1-cyclopropylethylamino)benzenesulfonamide is CC(Nc1ccccc1S(N)(=O)=O)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)benzenesulfonamide?
The InChIKey is DAVWZKLDMFVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-8(9-6-7-9)13-10-4-2-3-5-11(10)16(12,14)15/h2-5,8-9,13H,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 2-(1-cyclopropylethylamino)benzenesulfonamide?
2-(1-cyclopropylethylamino)benzenesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)benzenesulfonamide is sourced from PubChem (CID 43533533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).