3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide

C11H15BrN2O2S — CID 114380220

IUPAC3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C11H15BrN2O2S/c1-7-9(13)5-8(12)6-10(7)17(15,16)14-11(2)3-4-11/h5-6,14H,3-4,13H2,1-2H3
InChIKeyPQGAVXRIUOJNPQ-UHFFFAOYSA-N
MW319.22 g/mol
LogP2.17
Rot. Bonds3

About 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide

3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide (PubChem CID 114380220) has the molecular formula C11H15BrN2O2S and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
PubChem CID114380220
Molecular FormulaC11H15BrN2O2S
Molecular Weight319.22 g/mol
Exact Mass318.00
IUPAC Name3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide
SMILESCc1c(N)cc(Br)cc1S(=O)(=O)NC1(C)CC1
InChIInChI=1S/C11H15BrN2O2S/c1-7-9(13)5-8(12)6-10(7)17(15,16)14-11(2)3-4-11/h5-6,14H,3-4,13H2,1-2H3
InChIKeyPQGAVXRIUOJNPQ-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-(1-methylcyclopropyl)benzenesulfonamide
CID 115634630
3-amino-5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzenesulfonamide
CID 114378635
3-amino-5-bromo-N-(3-ethylpentan-3-yl)-2-methylbenzenesulfonamide
CID 114379785
5-amino-4-bromo-2-methoxy-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485245
5-bromo-2-methyl-N-(1-methylcyclopropyl)thiophene-3-sulfonamide
CID 115690365
3-amino-5-bromo-N-(1,1-dioxothian-3-yl)-2-methylbenzenesulfonamide
CID 114379675
3-amino-5-bromo-2-methyl-N-(1-methylpiperidin-3-yl)benzenesulfonamide
CID 114379259
3-amino-5-bromo-N-(2,6-dioxopiperidin-3-yl)-2-methylbenzenesulfonamide
CID 114379847
5-(aminomethyl)-3-bromo-2-methyl-N-(1-methylcyclopentyl)benzenesulfonamide
CID 81487837
3-amino-5-bromo-2-methyl-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 114380304
3-amino-5-bromo-N-[3-(methanesulfonamido)propyl]-2-methylbenzenesulfonamide
CID 106333213
3-amino-5-bromo-N-(2-bromoprop-2-enyl)-2-methylbenzenesulfonamide
CID 114380174

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide (CID 114380220) is 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide is Cc1c(N)cc(Br)cc1S(=O)(=O)NC1(C)CC1.
What is the InChIKey of 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
The InChIKey is PQGAVXRIUOJNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2S/c1-7-9(13)5-8(12)6-10(7)17(15,16)14-11(2)3-4-11/h5-6,14H,3-4,13H2,1-2H3.
What are the key properties of 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide?
3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide has a molecular weight of 319.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-bromo-2-methyl-N-(1-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 114380220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).