3-(1-aminocyclopropyl)benzenesulfonamide

C9H12N2O2S — CID 70895936

IUPAC3-(1-aminocyclopropyl)benzenesulfonamide
SMILESNC1(c2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C9H12N2O2S/c10-9(4-5-9)7-2-1-3-8(6-7)14(11,12)13/h1-3,6H,4-5,10H2,(H2,11,12,13)
InChIKeyKOMQTSKRONODOJ-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.28
Rot. Bonds2

About 3-(1-aminocyclopropyl)benzenesulfonamide

3-(1-aminocyclopropyl)benzenesulfonamide (PubChem CID 70895936) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 3-(1-aminocyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-aminocyclopropyl)benzenesulfonamide
PubChem CID70895936
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name3-(1-aminocyclopropyl)benzenesulfonamide
SMILESNC1(c2cccc(S(N)(=O)=O)c2)CC1
InChIInChI=1S/C9H12N2O2S/c10-9(4-5-9)7-2-1-3-8(6-7)14(11,12)13/h1-3,6H,4-5,10H2,(H2,11,12,13)
InChIKeyKOMQTSKRONODOJ-UHFFFAOYSA-N
XLogP0.28
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzene-1,3-disulfonamide
CID 3090044
3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
CID 18461628
3-(1-aminocyclopropyl)benzaldehyde
CID 55296050
1-(3-bromophenyl)cyclopropan-1-amine
CID 11127564
3-(1-aminocyclopropyl)phenol
CID 55296554
3-[2-(trifluoromethyl)azirin-2-yl]benzenesulfonamide
CID 175381972
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
3-iodobenzenesulfonamide
CID 11219806
3-methylbenzenesulfonamide
CID 69347063
1-(3-fluorophenyl)sulfonyl-4-phenylpiperidin-4-amine
CID 123166621
potassium 3-chlorobenzenesulfonamide
CID 19353487
3-methylsulfonylbenzenesulfonamide;hydrochloride
CID 172691071

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminocyclopropyl)benzenesulfonamide?
The IUPAC name of 3-(1-aminocyclopropyl)benzenesulfonamide (CID 70895936) is 3-(1-aminocyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-aminocyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-(1-aminocyclopropyl)benzenesulfonamide is NC1(c2cccc(S(N)(=O)=O)c2)CC1.
What is the InChIKey of 3-(1-aminocyclopropyl)benzenesulfonamide?
The InChIKey is KOMQTSKRONODOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c10-9(4-5-9)7-2-1-3-8(6-7)14(11,12)13/h1-3,6H,4-5,10H2,(H2,11,12,13).
What are the key properties of 3-(1-aminocyclopropyl)benzenesulfonamide?
3-(1-aminocyclopropyl)benzenesulfonamide has a molecular weight of 212.27 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminocyclopropyl)benzenesulfonamide is sourced from PubChem (CID 70895936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).